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0UW
0UW
表記:5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C8 H7 N3 O
SMILES:O=C1NC(=NN1)c1ccccc1
InChi:InChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)
定義日:2021-06-16
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
7OI
7OI
表記:(1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
組成式:C33 H28 F3 N O6 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCc2ccccc2)cc1
InChi:InChI=1S/C33H28F3NO6S/c34-33(35,36)20-37(24-10-16-27(17-11-24)42-19-21-4-2-1-3-5-21)44(40,41)29-18-28-30(22-6-12-25(38)13-7-22)31(32(29)43-28)23-8-14-26(39)15-9-23/h1-17,28-29,32,38-39H,18-20H2/t28-,29+,32+/m0/s1
定義日:2021-08-14
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
7OR
7OR
表記:(1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
組成式:C34 H30 F3 N O6 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1
InChi:InChI=1S/C34H30F3NO6S/c1-42-27-17-11-25(12-18-27)38(21-34(35,36)37)45(40,41)30-19-29-31(23-7-13-26(39)14-8-23)32(33(30)44-29)24-9-15-28(16-10-24)43-20-22-5-3-2-4-6-22/h2-18,29-30,33,39H,19-21H2,1H3/t29-,30+,33+/m0/s1
定義日:2021-08-16
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
7Q5
7Q5
表記:methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
組成式:C30 H26 F3 N O7 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(C=C/C(=O)OC)cc1
InChi:InChI=1S/C30H26F3NO7S/c1-40-26(37)15-4-18-2-9-21(10-3-18)34(17-30(31,32)33)42(38,39)25-16-24-27(19-5-11-22(35)12-6-19)28(29(25)41-24)20-7-13-23(36)14-8-20/h2-15,24-25,29,35-36H,16-17H2,1H3/t24-,25+,29+/m0/s1
定義日:2021-08-17
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
UC8
UC8
表記:~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
組成式:C35 H36 N6 O3
SMILES:CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5ncc(cc5c6ccccc6)C(=O)NC)c2c1
InChi:InChI=1S/C35H36N6O3/c1-3-32(42)38-27-13-14-30-31(20-27)41(35(44)39-30)28-15-17-40(18-16-28)22-23-9-11-25(12-10-23)33-29(24-7-5-4-6-8-24)19-26(21-37-33)34(43)36-2/h4-14,19-21,28H,3,15-18,22H2,1-2H3,(H,36,43)(H,38,42)(H,39,44)
定義日:2021-02-10
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
UCE
UCE
表記:~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
組成式:C34 H35 N5 O3
SMILES:CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5ncc(CO)cc5c6ccccc6)c2c1
InChi:InChI=1S/C34H35N5O3/c1-2-32(41)36-27-12-13-30-31(19-27)39(34(42)37-30)28-14-16-38(17-15-28)21-23-8-10-26(11-9-23)33-29(18-24(22-40)20-35-33)25-6-4-3-5-7-25/h3-13,18-20,28,40H,2,14-17,21-22H2,1H3,(H,36,41)(H,37,42)
定義日:2021-02-10
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
4YI
4YI
表記:2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
組成式:C19 H15 Cl N4 O2
SMILES:COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3
InChi:InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+
定義日:2021-07-07
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
UFQ
UFQ
表記:Cytosine 5'-[gamma-thio]triphosphate
組成式:C9 H16 N3 O13 P3 S
SMILES:NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]2O
InChi:InChI=1S/C9H16N3O13P3S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H2,10,11,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1
別名:[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
定義日:2021-02-13
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
0BQ
0BQ
表記:5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C9 H7 N5 O
SMILES:O=C1NC(=NN1)c1[NH]c2ccccc2n1
InChi:InChI=1S/C9H7N5O/c15-9-12-8(13-14-9)7-10-5-3-1-2-4-6(5)11-7/h1-4H,(H,10,11)(H2,12,13,14,15)
定義日:2021-06-07
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
0CI
0CI
表記:5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C18 H19 N5 O3
SMILES:CCC(=O)N1CCC(C1)Oc1nc(cc2ccccc12)C=1NC(=O)NN=1
InChi:InChI=1S/C18H19N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h3-6,9,12H,2,7-8,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1
定義日:2021-06-07
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
VJG
VJG
表記:{(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid
組成式:C15 H16 N4 O3
SMILES:c1(ccc(cc1)c2nnnn2)C(C3CCCC3CC(O)=O)=O
InChi:InChI=1S/C15H16N4O3/c20-13(21)8-11-2-1-3-12(11)14(22)9-4-6-10(7-5-9)15-16-18-19-17-15/h4-7,11-12H,1-3,8H2,(H,20,21)(H,16,17,18,19)/t11-,12+/m0/s1
定義日:2020-08-17
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:{(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid
VJS
VJS
表記:{(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
組成式:C17 H18 O7
SMILES:C(C(C2C(C(c1ccc(cc1)CC(O)=O)=O)CCC2)C(O)=O)(O)=O
InChi:InChI=1S/C17H18O7/c18-13(19)8-9-4-6-10(7-5-9)15(20)12-3-1-2-11(12)14(16(21)22)17(23)24/h4-7,11-12,14H,1-3,8H2,(H,18,19)(H,21,22)(H,23,24)/t11-,12-/m1/s1
定義日:2020-08-17
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:{(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
VNS
VNS
表記:(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
組成式:C31 H29 F N4 O3 S
SMILES:O=C(Nc1nccs1)C(c2cc(F)ccc2O)N6C(c3c(ccc(c3)c4ccc(cc4)C5CCN(C)CC5)C6)=O
InChi:InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)/t28-/m1/s1
定義日:2020-08-31
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
VO7
VO7
表記:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
組成式:C27 H31 N7 O2
SMILES:c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C
InChi:InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)
別名:AZ5104
定義日:2020-08-31
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide
VOY
VOY
表記:(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
組成式:C31 H30 N8 O3
SMILES:CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N
InChi:InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+
定義日:2020-08-31
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
UUK
UUK
表記:tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
組成式:C29 H41 N3 O4
SMILES:CC(C)C[CH](NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C29H41N3O4/c1-22(2)19-25(31-28(35)36-29(3,4)5)27(34)30-18-12-17-26(33)32(20-23-13-8-6-9-14-23)21-24-15-10-7-11-16-24/h6-11,13-16,22,25H,12,17-21H2,1-5H3,(H,30,34)(H,31,35)/t25-/m0/s1
別名:~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
定義日:2021-03-19
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
UUW
UUW
表記:N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide
組成式:C31 H46 N4 O3
SMILES:CC(C)C[CH](NC(=O)CCCCN(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C31H46N4O3/c1-25(2)22-28(33-29(36)18-11-12-21-34(3)4)31(38)32-20-13-19-30(37)35(23-26-14-7-5-8-15-26)24-27-16-9-6-10-17-27/h5-10,14-17,25,28H,11-13,18-24H2,1-4H3,(H,32,38)(H,33,36)/t28-/m0/s1
別名:(2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide
定義日:2021-03-21
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide
V5B
V5B
表記:methyl sulfate
組成式:C H4 O4 S
SMILES:CO[S](O)(=O)=O
InChi:InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)
定義日:2021-04-15
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:methyl hydrogen sulfate
ODB
ODB
表記:(10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
組成式:C33 H46 N8 O5 S
SMILES:NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1=O)C(N)=O
InChi:InChI=1S/C33H46N8O5S/c34-31(45)28-21-47-20-25-10-4-2-8-23(25)17-40(16-22-7-1-3-9-24(22)19-42)18-30(44)41-14-6-11-26(41)15-29(43)38-27(32(46)39-28)12-5-13-37-33(35)36/h1-4,7-10,26-28,42H,5-6,11-21H2,(H2,34,45)(H,38,43)(H,39,46)(H4,35,36,37)/t26-,27-,28-/m0/s1
別名:P2 macrocycle
定義日:2020-02-27
最終更新日:2021-08-28
公開日:2020-03-18
識別子（ID）:(10~{S},14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
MRQ
MRQ
表記:(14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide
組成式:C30 H38 N8 O5 S
SMILES:NC(=N)NCCC[CH]1NC(=O)Cc2cccn2C(=O)CN(Cc3occc3)Cc4ccccc4CSC[CH](NC1=O)C(N)=O
InChi:InChI=1S/C30H38N8O5S/c31-28(41)25-19-44-18-21-7-2-1-6-20(21)15-37(16-23-9-5-13-43-23)17-27(40)38-12-4-8-22(38)14-26(39)35-24(29(42)36-25)10-3-11-34-30(32)33/h1-2,4-9,12-13,24-25H,3,10-11,14-19H2,(H2,31,41)(H,35,39)(H,36,42)(H4,32,33,34)/t24-,25-/m0/s1
別名:macrocycle N14-PR4-A
定義日:2019-10-22
最終更新日:2021-08-28
公開日:2020-09-30
識別子（ID）:(14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide
XY7
XY7
表記:1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione
組成式:C9 H12 F N2 O7 P
SMILES:C2(NC(=O)N(C1OC(C(C1F)O)COP(O)O)C=C2)=O
InChi:InChI=1S/C9H12FN2O7P/c10-6-7(14)4(3-18-20(16)17)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14,16-17H,3H2,(H,11,13,15)/t4-,6-,7-,8-/m0/s1
定義日:2021-01-19
最終更新日:2021-08-27
公開日:2021-09-01
識別子（ID）:1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione
ZP6
ZP6
表記:(2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
組成式:C22 H24 N2 O5
SMILES:OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3
InChi:InChI=1S/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)/t18-,19-/m0/s1
定義日:2020-08-07
最終更新日:2021-08-27
公開日:2021-09-01
識別子（ID）:(2~{S})-3-phenyl-2-[[(2~{S})-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
ZRY
ZRY
表記:(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
組成式:C14 H12 N4
SMILES:N=C1N/C(=NNc2ccccc2)c2ccccc12
InChi:InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18)
定義日:2021-05-28
最終更新日:2021-08-27
公開日:2021-09-01
識別子（ID）:(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
ZS1
ZS1
表記:(1Z)-1-imino-1H-isoindol-3-amine
組成式:C8 H7 N3
SMILES:N=C1N=C(N)c2ccccc12
InChi:InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
定義日:2021-05-28
最終更新日:2021-08-27
公開日:2021-09-01
識別子（ID）:(1Z)-1-imino-1H-isoindol-3-amine
ZS7
ZS7
表記:3-amino-1H-isoindol-1-one
組成式:C8 H6 N2 O
SMILES:NC1=NC(=O)c2ccccc12
InChi:InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)
定義日:2021-05-28
最終更新日:2021-08-27
公開日:2021-09-01
識別子（ID）:3-amino-1H-isoindol-1-one

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