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2A2
2A2
Name:4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
Formula:C14 H19 Cl N2 O S
SMILES:O=C(N2CCN(c1cccc(Cl)c1)CC2)CCCS
InChi:InChI=1S/C14H19ClN2OS/c15-12-3-1-4-13(11-12)16-6-8-17(9-7-16)14(18)5-2-10-19/h1,3-4,11,19H,2,5-10H2
Definition date:2010-09-13
Last modified:2011-06-04
Identifier:1-[4-(3-chlorophenyl)piperazin-1-yl]-4-sulfanylbutan-1-one
2A5
2A5
Name:2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)
Formula:C12 H19 N5 O10 P2
SMILES:O=P(O)(OP(=O)(O)O)OCC3OC(n2cnc1c(ncnc12)N)C(C3O)CCO
InChi:InChI=1S/C12H19N5O10P2/c13-10-8-11(15-4-14-10)17(5-16-8)12-6(1-2-18)9(19)7(26-12)3-25-29(23,24)27-28(20,21)22/h4-7,9,12,18-19H,1-3H2,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t6-,7-,9+,12-/m1/s1
Definition date:2008-05-02
Last modified:2011-06-04
Identifier:2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)
2AD
2AD
Name:2'-AMINO-2'-DEOXYADENOSINE
Formula:C10 H14 N6 O3
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3N)CO)N
InChi:InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
Definition date:2003-02-04
Last modified:2011-06-04
Identifier:2'-amino-2'-deoxyadenosine
2AF
2AF
Name:2-AMINOPHENOL
Formula:C6 H7 N O
SMILES:Oc1ccccc1N
InChi:InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
Definition date:2002-03-19
Last modified:2011-06-04
Identifier:2-aminophenol
2AI
2AI
Name:1H-imidazol-2-amine
Formula:C3 H5 N3
SMILES:n1ccnc1N
InChi:InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
Definition date:2007-11-07
Last modified:2011-06-04
Identifier:1H-imidazol-2-amine
2AM
2AM
Name:ADENOSINE-2'-MONOPHOSPHATE
Formula:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO
InChi:InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-adenylic acid
2AN
2AN
Name:8-ANILINO-1-NAPHTHALENE SULFONATE
Formula:C16 H13 N O3 S
SMILES:O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23
InChi:InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:8-(phenylamino)naphthalene-1-sulfonic acid
2AP
2AP
Name:2-AMINOPYRIDINE
Formula:C5 H7 N2
SMILES:Nc1[nH+]cccc1
InChi:InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)/p+1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-aminopyridinium
2AT
2AT
Name:2'-O-ALLYL THYMIDINE-5'-MONOPHOSPHATE
Formula:C13 H19 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCC=C)COP(=O)(O)O
InChi:InChI=1S/C13H19N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h3,5,8-10,12,16H,1,4,6H2,2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1
Definition date:2004-12-17
Last modified:2011-06-04
Identifier:5-methyl-2'-O-prop-2-en-1-yluridine 5'-(dihydrogen phosphate)
2AU
2AU
Name:2'-AMINOURIDINE
Formula:C9 H14 N3 O8 P
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2N)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3,10H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:2005-04-26
Last modified:2011-06-04
Identifier:2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate)
2BB
2BB
Name:(2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
Formula:C16 H31 N3 O5
SMILES:O=C(NO)C(O)C(C(=O)NC(C(=O)N(C)C)C(C)(C)C)CC(C)C
InChi:InChI=1S/C16H31N3O5/c1-9(2)8-10(11(20)14(22)18-24)13(21)17-12(16(3,4)5)15(23)19(6)7/h9-12,20,24H,8H2,1-7H3,(H,17,21)(H,18,22)/t10-,11+,12-/m1/s1
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:(2S,3R)-N~4~-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
2BC
2BC
Name:N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
Formula:C18 H12 Br2 N2 O3
SMILES:Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c3cc2ccccc2cc3
InChi:InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+
Definition date:2008-07-16
Last modified:2011-06-04
Identifier:N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
2BD
2BD
Name:N1-(1-HYDROXY-3-BUTEN-2(S)-YL)-2'-DEOXYINOSINE MONO PHOSPHORIC ACID
Formula:C14 H19 N4 O8 P
SMILES:O=C1c2ncn(c2N=CN1C(C=C)CO)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C14H19N4O8P/c1-2-8(4-19)17-7-16-13-12(14(17)21)15-6-18(13)11-3-9(20)10(26-11)5-25-27(22,23)24/h2,6-11,19-20H,1,3-5H2,(H2,22,23,24)/t8-,9-,10+,11+/m0/s1
Definition date:2004-08-02
Last modified:2011-06-04
Identifier:2'-deoxy-1-[(1S)-1-(hydroxymethyl)prop-2-en-1-yl]inosine 5'-(dihydrogen phosphate)
2BE
2BE
Name:4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
Formula:C14 H9 Br2 Cl N2 O3
SMILES:Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2ccc(Cl)cc2
InChi:InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+
Definition date:2008-07-16
Last modified:2011-06-04
Identifier:4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
2BF
2BF
Name:ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID
Formula:C14 H16 N O3 P
SMILES:O=P(O)(O)C(NCc1ccccc1)c2ccccc2
InChi:InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m1/s1
Definition date:2002-12-10
Last modified:2011-06-04
Identifier:[(R)-(benzylamino)(phenyl)methyl]phosphonic acid
2BM
2BM
Name:DIBROMOMETHANE
Formula:C H2 Br2
SMILES:BrCBr
InChi:InChI=1S/CH2Br2/c2-1-3/h1H2
Definition date:2000-10-13
Last modified:2011-06-04
Identifier:dibromomethane
2BU
2BU
Name:(2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'-DEOXYADENOSINE MONO PHOSPHORIC ACID
Formula:C14 H22 N5 O9 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCC(O)C(O)CO)CC3O
InChi:InChI=1S/C14H22N5O9P/c20-3-9(23)8(22)2-15-13-12-14(17-5-16-13)19(6-18-12)11-1-7(21)10(28-11)4-27-29(24,25)26/h5-11,20-23H,1-4H2,(H,15,16,17)(H2,24,25,26)/t7-,8+,9-,10+,11+/m0/s1
Definition date:2004-08-02
Last modified:2011-06-04
Identifier:2'-deoxy-N-[(2R,3S)-2,3,4-trihydroxybutyl]adenosine 5'-(dihydrogen phosphate)
2C2
2C2
Name:(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID
Formula:C10 H8 O4
SMILES:O=C(O)C2(O)Oc1ccccc1C=C2
InChi:InChI=1S/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)/t10-/m0/s1
Definition date:2006-10-26
Last modified:2011-06-04
Identifier:(2S)-2-hydroxy-2H-chromene-2-carboxylic acid
2CE
2CE
Name:N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE
Formula:C24 H31 Cl N6 O5 S
SMILES:Clc2ccc(SCC(=O)NC(C(=O)NCCOCCOCC(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2
InChi:InChI=1S/C24H31ClN6O5S/c25-17-3-7-19(8-4-17)37-15-22(33)31-20(13-16-1-5-18(6-2-16)30-24(27)28)23(34)29-9-10-35-11-12-36-14-21(26)32/h1-8,20H,9-15H2,(H2,26,32)(H,29,34)(H,31,33)(H4,27,28,30)/t20-/m0/s1
Definition date:2005-07-04
Last modified:2011-06-04
Identifier:N-{2-[2-(2-amino-2-oxoethoxy)ethoxy]ethyl}-4-carbamimidamido-Nalpha-{[(4-chlorophenyl)sulfanyl]acetyl}-L-phenylalaninamide
2CH
2CH
Name:2-CHLOROPHENOL
Formula:C6 H5 Cl O
SMILES:Clc1ccccc1O
InChi:InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
Definition date:2004-11-04
Last modified:2011-06-04
Identifier:2-chlorophenol
2CL
2CL
Name:(2,6-DICHLOROPHENYL)ACETIC ACID
Formula:C8 H6 Cl2 O2
SMILES:Clc1cccc(Cl)c1CC(=O)O
InChi:InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
Definition date:2006-10-17
Last modified:2011-06-04
Identifier:(2,6-dichlorophenyl)acetic acid
2CP
2CP
Name:2-CARBOXYPROPYL-COENZYME A
Formula:C25 H42 N7 O18 P3 S
SMILES:O=C(O)C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C25H42N7O18P3S/c1-13(24(37)38)9-54-7-6-27-15(33)4-5-28-22(36)19(35)25(2,3)10-47-53(44,45)50-52(42,43)46-8-14-18(49-51(39,40)41)17(34)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,4-10H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)
2CY
2CY
Name:5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
Formula:C17 H17 F N4 O2
SMILES:Fc3cccc(OCCCOc2c1c(nc(nc1N)N)ccc2)c3
InChi:InChI=1S/C17H17FN4O2/c18-11-4-1-5-12(10-11)23-8-3-9-24-14-7-2-6-13-15(14)16(19)22-17(20)21-13/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)
Definition date:2009-08-25
Last modified:2011-06-04
Identifier:5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
2DA
2DA
Name:2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O5 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
InChi:InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
2DC
2DC
Name:(3alpha,8alpha,22R)-cholest-5-ene-3,20,22-triol
Formula:C27 H46 O3
SMILES:OC(CCC(C)C)C(O)(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C
InChi:InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1
Definition date:2010-06-01
Last modified:2011-06-04
Identifier:(3alpha,8alpha,22R)-cholest-5-ene-3,20,22-triol

223532

数据于2024-08-07公开中

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