 | | E6E | | Name: | 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one | | Formula: | C34 H35 N5 O4 S | | SMILES: | COc1ccccc1COc2cc(ccc2OC)C3=NN(C4CCN(CC4)c5ncnc6ccsc56)C(=O)[CH]7CC=CC[CH]37 | | InChi: | InChI=1S/C34H35N5O4S/c1-41-28-10-6-3-7-23(28)20-43-30-19-22(11-12-29(30)42-2)31-25-8-4-5-9-26(25)34(40)39(37-31)24-13-16-38(17-14-24)33-32-27(15-18-44-32)35-21-36-33/h3-7,10-12,15,18-19,21,24-26H,8-9,13-14,16-17,20H2,1-2H3/t25-,26-/m1/s1 | | Definition date: | 2018-02-20 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | (4~{a}~{R},8~{a}~{R})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one |
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 | | E6Z | | Name: | 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide | | Formula: | C25 H29 N3 O3 | | SMILES: | COc1ccc(cc1C#CC(N)=O)C2=NN(C3CCCCCC3)C(=O)[CH]4CC=CC[CH]24 | | InChi: | InChI=1S/C25H29N3O3/c1-31-22-14-12-18(16-17(22)13-15-23(26)29)24-20-10-6-7-11-21(20)25(30)28(27-24)19-8-4-2-3-5-9-19/h6-7,12,14,16,19-21H,2-5,8-11H2,1H3,(H2,26,29)/t20-,21+/m0/s1 | | Definition date: | 2018-02-22 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]prop-2-ynamide |
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 | | E8H | | Name: | 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione | | Formula: | C27 H32 N4 O6 | | SMILES: | COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CCC4=O)C(=O)[CH]5CC=CC[CH]25 | | InChi: | InChI=1S/C27H32N4O6/c1-36-21-8-7-17(15-22(21)37-2)26-19-5-3-4-6-20(19)27(35)31(28-26)18-11-13-29(14-12-18)25(34)16-30-23(32)9-10-24(30)33/h3-4,7-8,15,18-20H,5-6,9-14,16H2,1-2H3/t19-,20+/m0/s1 | | Definition date: | 2018-03-02 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]pyrrolidine-2,5-dione |
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 | | HQG | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C15 H24 N5 O17 P3 | | SMILES: | C2(C(C(C(COP(O)(=O)OP(O)(=O)OCC1C(C(C(OP(=O)(O)O)O1)O)O)O2)O)O)n3c4c(nc3)c(ncn4)N | | InChi: | InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | | Definition date: | 2018-07-16 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | EJK | | Name: | 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile | | Formula: | C19 H14 Cl F4 N O6 | | SMILES: | OC[CH]1O[CH](Oc2ccc(cc2Cl)c3c(F)c(F)c(C#N)c(F)c3F)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C19H14ClF4NO6/c20-8-3-6(11-14(23)12(21)7(4-25)13(22)15(11)24)1-2-9(8)30-19-18(29)17(28)16(27)10(5-26)31-19/h1-3,10,16-19,26-29H,5H2/t10-,16-,17+,18+,19+/m1/s1 | | Definition date: | 2018-03-23 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile |
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 | | E48 | | Name: | 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one | | Formula: | C21 H26 N6 O6 | | SMILES: | CC1(C)O[CH]2CO[C]3(CNc4[nH]c5cc6N=C(N)NC(=O)c6cc5n4)OC(C)(C)O[CH]3[CH]2O1 | | InChi: | InChI=1S/C21H26N6O6/c1-19(2)30-13-7-29-21(15(14(13)31-19)32-20(3,4)33-21)8-23-18-25-11-5-9-10(6-12(11)26-18)24-17(22)27-16(9)28/h5-6,13-15H,7-8H2,1-4H3,(H2,23,25,26)(H3,22,24,27,28)/t13-,14-,15+,21+/m1/s1 | | Definition date: | 2018-02-17 | | Last modified: | 2019-03-08 | | Release date: | 2019-03-13 | | Identifier: | 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
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 | | E4T | | Name: | 5-methylcyclohexane-1,1,3,3-tetrol | | Formula: | C7 H14 O4 | | SMILES: | CC1CC(O)(O)CC(O)(O)C1 | | InChi: | InChI=1S/C7H14O4/c1-5-2-6(8,9)4-7(10,11)3-5/h5,8-11H,2-4H2,1H3 | | Definition date: | 2018-02-19 | | Last modified: | 2019-03-08 | | Release date: | 2019-03-13 | | Identifier: | 5-methylcyclohexane-1,1,3,3-tetrol |
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 | | BXE | | Name: | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium | | Formula: | C4 H9 N6 O | | SMILES: | [NH3+]NC(=O)CCc1n[nH]nn1 | | InChi: | InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1 | | Definition date: | 2017-10-27 | | Last modified: | 2019-02-22 | | Release date: | 2019-02-27 | | Identifier: | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium |
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 | | J7Q | | Name: | tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum | | Formula: | H Mo7 O26 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O[Mo]O[Mo]1O[Mo](O[Mo])O[Mo]O[Mo](O[Mo])O1 | | InChi: | InChI=1S/7Mo.19H2O.7O/h | | Definition date: | 2019-02-09 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum |
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 | | J85 | | Name: | [[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum | | Formula: | H3 Mo5 O11 | | SMILES: | O.O.O.O.O.[Mo].O[Mo]O[Mo]O.O[Mo]O[Mo]=O | | InChi: | InChI=1S/5Mo.8H2O.3O/h | | Definition date: | 2019-02-09 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum |
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 | | KXP | | Name: | (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate | | Formula: | C47 H85 O19 P3 | | SMILES: | C(OC(CCCCCCCCCCCCCCCCC)=O)C(COP(=O)(O)OC1C(O)C(C(C(C1O)OP(O)(O)=O)OP(O)(O)=O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC | | InChi: | InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/t39-,42+,43-,44-,45+,46+,47+/m0/s1 | | Definition date: | 2019-01-23 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate |
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 | | I1L | | Name: | [2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium | | Formula: | C3 H7 N6 O | | SMILES: | [NH3+]NC(=O)Cc1n[nH]nn1 | | InChi: | InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)/p+1 | | Definition date: | 2017-10-27 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium |
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 | | BWK | | Name: | [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium | | Formula: | C4 H10 N6 O | | SMILES: | Cn1nn[nH+]c1CC(=O)N[NH3+] | | InChi: | InChI=1S/C4H8N6O/c1-10-3(7-8-9-10)2-4(11)6-5/h2,5H2,1H3,(H,6,11)/p+2 | | Definition date: | 2017-10-27 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium |
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 | | BWT | | Name: | [[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium | | Formula: | C8 H9 N6 O | | SMILES: | [NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2 | | InChi: | InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1 | | Definition date: | 2017-10-27 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium |
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 | | BWZ | | Name: | [[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium | | Formula: | C8 H9 N6 O | | SMILES: | [NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2 | | InChi: | InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1 | | Definition date: | 2017-10-27 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium |
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 | | BX5 | | Name: | [4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium | | Formula: | C5 H11 N6 O | | SMILES: | [NH3+]NC(=O)CCCc1n[nH]nn1 | | InChi: | InChI=1S/C5H10N6O/c6-7-5(12)3-1-2-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11)/p+1 | | Definition date: | 2017-10-27 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | [4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium |
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 | | BXH | | Name: | ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate | | Formula: | C5 H8 N4 O2 | | SMILES: | CCOC(=O)Cc1n[nH]nn1 | | InChi: | InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9) | | Definition date: | 2017-10-27 | | Last modified: | 2019-02-15 | | Release date: | 2019-02-20 | | Identifier: | ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate |
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 | | 6KB | | Name: | 4-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid | | Formula: | C19 H30 N5 O19 P3 | | SMILES: | O=C(CCCOC1OC(C(C1O)O)COP(O)(OP(O)(=O)OCC4OC(n3c2c(c(ncn2)N)nc3)C(C4O)OP(O)(=O)O)=O)O | | InChi: | InChI=1S/C19H30N5O19P3/c20-16-11-17(22-6-21-16)24(7-23-11)18-15(42-44(30,31)32)13(28)9(40-18)5-39-46(35,36)43-45(33,34)38-4-8-12(27)14(29)19(41-8)37-3-1-2-10(25)26/h6-9,12-15,18-19,27-29H,1-5H2,(H,25,26)(H,33,34)(H,35,36)(H2,20,21,22)(H2,30,31,32)/t8-,9-,12-,13-,14-,15-,18-,19-/m1/s1 | | Definition date: | 2016-04-21 | | Last modified: | 2019-02-11 | | Release date: | 2017-05-03 | | Identifier: | 4-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]oxy}butanoic acid (non-preferred name) |
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 | | EZ7 | | Name: | N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide | | Formula: | C28 H27 N9 O3 | | SMILES: | c2c(cc1nc(oc1c2)c3ccnc(c3)C(N4CCN(CC4)C(c5ccccc5)c6nnn(n6)C)=O)NC(C)=O | | InChi: | InChI=1S/C28H27N9O3/c1-18(38)30-21-8-9-24-22(17-21)31-27(40-24)20-10-11-29-23(16-20)28(39)37-14-12-36(13-15-37)25(19-6-4-3-5-7-19)26-32-34-35(2)33-26/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,38)/t25-/m1/s1 | | Definition date: | 2018-02-14 | | Last modified: | 2019-02-08 | | Release date: | 2019-02-13 | | Identifier: | N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide |
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 | | HO7 | | Name: | (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | | Formula: | C11 H11 Br N2 S | | SMILES: | c3c(C2CN1CCSC1=N2)ccc(c3)Br | | InChi: | InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1 | | Definition date: | 2018-07-16 | | Last modified: | 2019-02-08 | | Release date: | 2019-02-13 | | Identifier: | (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole |
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 | | HVD | | Name: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol | | Formula: | C21 H30 O2 | | SMILES: | C=1(CCC(C(C=1)c2c(CCCCC)cc(cc2O)O)C(=C)C)C | | InChi: | InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1 | | Definition date: | 2018-07-23 | | Last modified: | 2019-02-08 | | Release date: | 2019-02-13 | | Identifier: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol |
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 | | HVJ | | Name: | (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol | | Formula: | C17 H22 O2 | | SMILES: | c1(C)c(c(O)cc(c1)O)C2C(C(/C)=C)CCC(C)=C2 | | InChi: | InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1 | | Definition date: | 2018-07-24 | | Last modified: | 2019-02-08 | | Release date: | 2019-02-13 | | Identifier: | (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol |
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 | | FFY | | Name: | N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine | | Formula: | C24 H25 Cl F N5 | | SMILES: | n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CCNCC4)NC(C5CC5)C | | InChi: | InChI=1S/C24H25ClFN5/c1-14(15-5-6-15)28-23-19-4-2-3-18(16-9-11-27-12-10-16)22(19)30-24(31-23)29-17-7-8-21(26)20(25)13-17/h2-4,7-9,13-15,27H,5-6,10-12H2,1H3,(H2,28,29,30,31)/t14-/m1/s1 | | Definition date: | 2018-03-29 | | Last modified: | 2019-02-01 | | Release date: | 2019-02-06 | | Identifier: | N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine |
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 | | KC1 | | Name: | Chlorophyll c1 | | Formula: | C35 H30 Mg N4 O5 | | SMILES: | N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)CC)C)C=C)C | | InChi: | InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22 | | Definition date: | 2018-10-17 | | Last modified: | 2019-02-01 | | Release date: | 2019-02-06 | | Identifier: | (2E)-3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium |
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 | | KC2 | | Name: | Chlorophyll c2 | | Formula: | C35 H28 Mg N4 O5 | | SMILES: | N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)C=C)C)C=C)C | | InChi: | InChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22 | | Definition date: | 2018-10-17 | | Last modified: | 2019-02-01 | | Release date: | 2019-02-06 | | Identifier: | (2E)-3-[(21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium |
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