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ABR
ABR
Name:(R)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Formula:C18 H22 N5 O7 P
SMILES:O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NCC(O)c3ccccc3)CC4O
InChi:InChI=1S/C18H22N5O7P/c24-12-6-15(30-14(12)8-29-31(26,27)28)23-10-22-16-17(20-9-21-18(16)23)19-7-13(25)11-4-2-1-3-5-11/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,21)(H2,26,27,28)/t12-,13-,14+,15+/m0/s1
Definition date:2001-10-12
Last modified:2011-06-04
Identifier:2'-deoxy-N-[(2R)-2-hydroxy-2-phenylethyl]adenosine 5'-(dihydrogen phosphate)
ABS
ABS
Name:(S)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Formula:C18 H22 N5 O7 P
SMILES:O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NCC(O)c3ccccc3)CC4O
InChi:InChI=1S/C18H22N5O7P/c24-12-6-15(30-14(12)8-29-31(26,27)28)23-10-22-16-17(20-9-21-18(16)23)19-7-13(25)11-4-2-1-3-5-11/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,21)(H2,26,27,28)/t12-,13+,14+,15+/m0/s1
Definition date:2001-10-12
Last modified:2011-06-04
Identifier:2'-deoxy-N-[(2S)-2-hydroxy-2-phenylethyl]adenosine 5'-(dihydrogen phosphate)
T2M
T2M
Name:TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
Formula:C7 H13 N3 O2
SMILES:O=C(OC(C)(C)C)NN(C#N)C
InChi:InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)9-10(4)5-8/h1-4H3,(H,9,11)
Definition date:2005-02-07
Last modified:2011-06-04
Identifier:tert-butyl 2-cyano-2-methylhydrazinecarboxylate
ABW
ABW
Name:5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID
Formula:C14 H23 N O6
SMILES:O=C(NC(C1OC(C(=O)O)CC1C(=O)OC)CC(C)C)C
InChi:InChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18)/t9-,10+,11-,12-/m1/s1
Definition date:2004-10-18
Last modified:2011-06-04
Identifier:(5R)-5-[(1S)-1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)-L-threo-pentonic acid
ABX
ABX
Name:5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE
Formula:C14 H24 N2 O5
SMILES:O=C(NC(C1NC(C(=O)O)CC1C(=O)OC)CC(C)C)C
InChi:InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1
Definition date:2004-10-18
Last modified:2011-06-04
Identifier:(4R,5R)-5-[(1S)-1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)-D-proline
T2P
T2P
Name:3-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE
Formula:C13 H21 N4 O11 P
SMILES:O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9+/m0/s1
Definition date:2004-06-18
Last modified:2011-06-04
Identifier:1-deoxy-1-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-xylitol
ABZ
ABZ
Name:4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE
Formula:C19 H14 Cl N7
SMILES:N#Cc1ccc(cc1)Nc2nc(nc(n2)Cc3c(Cl)ccc4c3ccn4)N
InChi:InChI=1S/C19H14ClN7/c20-15-5-6-16-13(7-8-23-16)14(15)9-17-25-18(22)27-19(26-17)24-12-3-1-11(10-21)2-4-12/h1-8,23H,9H2,(H3,22,24,25,26,27)
Definition date:2001-12-07
Last modified:2011-06-04
Identifier:4-({4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl}amino)benzonitrile
T2T
T2T
Name:[(2S,3S,5R)-3-[(2S)-3-({[(2R,3S,4R,5R)-3-HYDROXY-4-METHOXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL}AMINO)-2-METHYL-3-OXOPROPYL]-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:C25 H36 N5 O13 P
SMILES:O=C1C(=CN(C(=O)N1)C2OC(COP(=O)(O)O)C(C2)CC(C(=O)NCC4OC(N3C(=O)NC(=O)C(=C3)C)C(OC)C4O)C)C
InChi:InChI=1S/C25H36N5O13P/c1-11(5-14-6-17(42-16(14)10-41-44(37,38)39)29-8-12(2)21(33)27-24(29)35)20(32)26-7-15-18(31)19(40-4)23(43-15)30-9-13(3)22(34)28-25(30)36/h8-9,11,14-19,23,31H,5-7,10H2,1-4H3,(H,26,32)(H,27,33,35)(H,28,34,36)(H2,37,38,39)/t11-,14-,15+,16+,17+,18+,19+,23+/m0/s1
Definition date:2006-05-12
Last modified:2011-06-04
Identifier:[(2S,3S,5R)-3-[(2S)-3-({[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
T32
T32
Name:6'-ALPHA-METHYL CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE
Formula:C12 H19 N2 O7 P
SMILES:O=P(O)(O)OCC2C(C(N1C=C(C(=O)NC1=O)C)CC2O)C
InChi:InChI=1S/C12H19N2O7P/c1-6-4-14(12(17)13-11(6)16)9-3-10(15)8(7(9)2)5-21-22(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m0/s1
Definition date:1996-12-07
Last modified:2011-06-04
Identifier:[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate
T33
T33
Name:3,3'-DEIODO-THYROXINE
Formula:C15 H13 I2 N O4
SMILES:O=C(O)C(N)Cc2ccc(Oc1cc(I)c(O)cc1)c(I)c2
InChi:InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine
ACJ
ACJ
Name:5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID
Formula:C14 H7 Cl F3 N O5
SMILES:Clc2cc(ccc2Oc1cc(C(=O)O)c([N+]([O-])=O)cc1)C(F)(F)F
InChi:InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
Definition date:2006-06-12
Last modified:2011-06-04
Identifier:5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
ACN
ACN
Name:ACETONE
Formula:C3 H6 O
SMILES:O=C(C)C
InChi:InChI=1S/C3H6O/c1-3(2)4/h1-2H3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:propan-2-one
ACY
ACY
Name:ACETIC ACID
Formula:C2 H4 O2
SMILES:O=C(O)C
InChi:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:acetic acid
AD2
AD2
Name:2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE
Formula:C10 H15 N5 O9 P2
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3OP(=O)(O)O
InChi:InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1
Definition date:2002-03-06
Last modified:2011-06-04
Identifier:2'-deoxyadenosine 3',5'-bis(dihydrogen phosphate)
AD3
AD3
Name:3-DEAZA-ADENOSINE
Formula:C11 H14 N4 O4
SMILES:n1c3c(n(c1)C2OC(C(O)C2O)CO)ccnc3N
InChi:InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
Definition date:2000-12-18
Last modified:2011-06-04
Identifier:1-beta-D-ribofuranosyl-1H-imidazo[4,5-c]pyridin-4-amine
T3S
T3S
Name:5'-deoxy-5'-piperidin-1-ylthymidine
Formula:C15 H23 N3 O4
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCCC3
InChi:InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1
Definition date:2008-05-28
Last modified:2011-06-04
Identifier:5'-deoxy-5'-piperidin-1-ylthymidine
AD9
AD9
Name:ADP METAVANADATE
Formula:C10 H16 N5 O13 P2 V
SMILES:O=[V](O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H15N5O10P2.2H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20
Definition date:2008-03-25
Last modified:2011-06-04
Identifier:(adenosinato)(dihydroxy)oxovanadium
ADB
ADB
Name:4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE
Formula:C16 H10 Cl2 N6 O
SMILES:N#Cc1ccc(cc1)Nc3nc(nc(Oc2c(Cl)cccc2Cl)n3)N
InChi:InChI=1S/C16H10Cl2N6O/c17-11-2-1-3-12(18)13(11)25-16-23-14(20)22-15(24-16)21-10-6-4-9(8-19)5-7-10/h1-7H,(H3,20,21,22,23,24)
Definition date:2001-12-06
Last modified:2011-06-04
Identifier:4-{[4-amino-6-(2,6-dichlorophenoxy)-1,3,5-triazin-2-yl]amino}benzonitrile
ADC
ADC
Name:(1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE
Formula:C10 H11 N5 O2
SMILES:n1c(c2ncn(c2nc1)C3C=CC(O)C3O)N
InChi:InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6+,8+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S,2S,5R)-5-(6-amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diol
ADE
ADE
Name:ADENINE
Formula:C5 H5 N5
SMILES:n1c(c2ncnc2nc1)N
InChi:InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:9H-purin-6-amine
T45
T45
Name:METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLATE
Formula:C4 H5 N3 O2
SMILES:O=C(OC)c1nnnc1
InChi:InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)
Definition date:2007-01-10
Last modified:2011-06-04
Identifier:methyl 2H-1,2,3-triazole-4-carboxylate
ADH
ADH
Name:1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE
Formula:C7 H13 N O3
SMILES:OC1CC(=CC(N)C1O)CO
InChi:InChI=1S/C7H13NO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1,5-7,9-11H,2-3,8H2/t5-,6-,7-/m0/s1
Definition date:2001-11-30
Last modified:2011-06-04
Identifier:(1S,2S,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol
ADI
ADI
Name:2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE
Formula:C10 H15 N5 O8 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
InChi:InChI=1S/C10H15N5O8P2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(22-7)3-21-25(19,20)23-24(16,17)18/h4-7H,1-3H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
Definition date:2001-09-26
Last modified:2011-06-04
Identifier:[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate
T48
T48
Name:6'-ALPHA-HYDROXY CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE
Formula:C11 H17 N2 O8 P
SMILES:O=P(O)(O)OCC2C(O)C(N1C=C(C(=O)NC1=O)C)CC2O
InChi:InChI=1S/C11H17N2O8P/c1-5-3-13(11(17)12-10(5)16)7-2-8(14)6(9(7)15)4-21-22(18,19)20/h3,6-9,14-15H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+,9+/m1/s1
Definition date:1996-12-07
Last modified:2011-06-04
Identifier:[(1R,2S,3S,5S)-2,5-dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate
T49
T49
Name:S4'-2'DEOXYTHYMIDINE 5'-MONOPHOSPHATE
Formula:C10 H15 N2 O7 P S
SMILES:O=C1NC(=O)N(C=C1C)C2SC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(21-8)4-19-20(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Definition date:1996-06-20
Last modified:2011-06-04
Identifier:4'-thiothymidine 5'-(dihydrogen phosphate)

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