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C38
C38
Name:5-IODO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 I N3 O7 P
SMILES:IC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C9H13IN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:1997-03-12
Last modified:2011-06-04
Identifier:2'-deoxy-5-iodocytidine 5'-(dihydrogen phosphate)
C3P
C3P
Name:CYTIDINE-3'-MONOPHOSPHATE
Formula:C9 H14 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3'-cytidylic acid
C3Q
C3Q
Name:N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide
Formula:C33 H49 N3 O3 S
SMILES:O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)CCC35CC4CC(CC(C3)C4)C5
InChi:InChI=1S/C33H49N3O3S/c1-36(2)30-13-9-12-29-28(30)11-10-14-31(29)40(38,39)35-18-8-6-4-3-5-7-17-34-32(37)15-16-33-22-25-19-26(23-33)21-27(20-25)24-33/h9-14,25-27,35H,3-8,15-24H2,1-2H3,(H,34,37)/t25-,26+,27-,33+
Definition date:2010-10-12
Last modified:2011-06-04
Identifier:N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide
QGF
QGF
Name:N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide
Formula:C23 H29 Cl2 F N4 O5 S
SMILES:O=S(=O)(N2CCC(OCc1ccc(Cl)cc1Cl)CC2)CC(N(O)C=O)(C)CC(c3ncc(F)cn3)C
InChi:InChI=1S/C23H29Cl2FN4O5S/c1-16(22-27-11-19(26)12-28-22)10-23(2,30(32)15-31)14-36(33,34)29-7-5-20(6-8-29)35-13-17-3-4-18(24)9-21(17)25/h3-4,9,11-12,15-16,20,32H,5-8,10,13-14H2,1-2H3/t16-,23-/m0/s1
Definition date:2011-01-07
Last modified:2011-06-04
Identifier:N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide
C3Y
C3Y
Name:S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE
Formula:C5 H12 N2 O4 S
SMILES:O=C(O)C(N)CSC(O)(NO)C
InChi:InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1
Definition date:2007-04-02
Last modified:2011-06-04
Identifier:S-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]-L-cysteine
C42
C42
Name:3'-AMINO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H15 N4 O6 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(N)C2)COP(=O)(O)O
InChi:InChI=1S/C9H15N4O6P/c10-5-3-8(13-2-1-7(11)12-9(13)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8H,3-4,10H2,(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:1998-01-28
Last modified:2011-06-04
Identifier:3'-amino-2',3'-dideoxycytidine 5'-(dihydrogen phosphate)
C45
C45
Name:N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O8 P
SMILES:O=C1N=C(NOC)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O8P/c1-19-12-8-2-3-13(10(15)11-8)9-4-6(14)7(21-9)5-20-22(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:1993-07-15
Last modified:2011-06-04
Identifier:2'-deoxy-N-methoxycytidine 5'-(dihydrogen phosphate)
C46
C46
Name:6H,8H-3,4-DIHYDROPYRIMIDO[4,5-C][1,2]OXAZIN-7-0NE(CYTIDINE)-5'-MONOPHOSPHATE
Formula:C11 H16 N3 O8 P
SMILES:O=P(O)(O)OCC3OC(N1C=C2C(=NC1=O)NOCC2)CC3O
InChi:InChI=1S/C11H16N3O8P/c15-7-3-9(22-8(7)5-21-23(17,18)19)14-4-6-1-2-20-13-10(6)12-11(14)16/h4,7-9,15H,1-3,5H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
Definition date:1999-04-22
Last modified:2011-06-04
Identifier:6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4,6-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-7(3H)-one
C49
C49
Name:4-THIO,5-FLUORO,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H15 F N3 O7 P S
SMILES:O=C1N(C(=S)C(F)(C(=[N@H])N1)C)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H15FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,15H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6+,10+/m0/s1
Definition date:1995-09-15
Last modified:2011-06-04
Identifier:2'-deoxy-5-fluoro-5-methyl-6-thioxocytidine 5'-(dihydrogen phosphate)
C4E
C4E
Name:N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
Formula:C13 H11 N3
SMILES:n1cccc2c1ncc2Nc3ccccc3
InChi:InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9,16H,(H,14,15)
Definition date:2008-01-30
Last modified:2011-06-04
Identifier:N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
C4S
C4S
Name:2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
Formula:C9 H14 N3 O6 P S
SMILES:O=C1N=C(N)C=CN1C2SC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(20-8)4-18-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:2007-11-28
Last modified:2011-06-04
Identifier:2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
QHF
QHF
Name:N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide
Formula:C23 H34 F N5 O5 S
SMILES:Fc1cnc(nc1)C(C)CC(N(O)C=O)(C)CS(=O)(=O)N3CCC(CCc2c(onc2C)C)CC3
InChi:InChI=1S/C23H34FN5O5S/c1-16(22-25-12-20(24)13-26-22)11-23(4,29(31)15-30)14-35(32,33)28-9-7-19(8-10-28)5-6-21-17(2)27-34-18(21)3/h12-13,15-16,19,31H,5-11,14H2,1-4H3/t16-,23-/m0/s1
Definition date:2011-01-07
Last modified:2011-06-04
Identifier:N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide
C4X
C4X
Name:3,4-EPOXYBUTYL-BETA-D-XYLOSIDE
Formula:C9 H16 O6
SMILES:O(CCC1OC1)C2OCC(O)C(O)C2O
InChi:InChI=1S/C9H16O6/c10-6-4-15-9(8(12)7(6)11)13-2-1-5-3-14-5/h5-12H,1-4H2/t5-,6-,7+,8-,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-[(2R)-oxiran-2-yl]ethyl beta-D-xylopyranoside
C53
C53
Name:2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE
Formula:C9 H7 N3 O S
SMILES:O=C1C(/SC(=[N@H])N1)=Cc2ncccc2
InChi:InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+
Definition date:2007-05-14
Last modified:2011-06-04
Identifier:(2Z,5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
C5C
C5C
Name:S-CYCLOPENTYL THIOCYSTEINE
Formula:C8 H15 N O2 S2
SMILES:O=C(O)C(N)CSSC1CCCC1
InChi:InChI=1S/C8H15NO2S2/c9-7(8(10)11)5-12-13-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-(cyclopentyldisulfanyl)-L-alanine
C5D
C5D
Name:(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol
Formula:C24 H32 F6 O3
SMILES:FC(F)(F)C(O)(C#CCCC2(C)CCC(/C=C/C=C1CC(O)CC(O)C1)C2(C)C)C(F)(F)F
InChi:InChI=1S/C24H32F6O3/c1-20(2)17(8-6-7-16-13-18(31)15-19(32)14-16)9-12-21(20,3)10-4-5-11-22(33,23(25,26)27)24(28,29)30/h6-8,17-19,31-33H,4,9-10,12-15H2,1-3H3/b8-6+/t17-,18-,19-,21+/m1/s1
Definition date:2008-07-14
Last modified:2011-06-04
Identifier:(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol
C5G
C5G
Name:[CYTIDINE-5'-PHOSPHATE]-BETA-GLUCOSYL-PHOSPHORIC ACID ESTER
Formula:C15 H25 N3 O16 P2
SMILES:O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=NC2=O)N)C(O)C3O
InChi:InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
Definition date:2004-07-26
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
QI1
QI1
Name:4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide
Formula:C18 H20 Cl2 N2 O2
SMILES:Clc1ccc(cc1)CN(Cc2ccc(Cl)cc2)CCCC(=O)NO
InChi:InChI=1S/C18H20Cl2N2O2/c19-16-7-3-14(4-8-16)12-22(11-1-2-18(23)21-24)13-15-5-9-17(20)10-6-15/h3-10,24H,1-2,11-13H2,(H,21,23)
Definition date:2011-02-03
Last modified:2011-06-04
Identifier:4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide
QI3
QI3
Name:(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide
Formula:C17 H16 Cl2 N2 O5 S
SMILES:O=S(=O)(c1ccc(Cl)cc1)N3C(C(=O)NO)CC(Oc2ccc(Cl)cc2)C3
InChi:InChI=1S/C17H16Cl2N2O5S/c18-11-1-5-13(6-2-11)26-14-9-16(17(22)20-23)21(10-14)27(24,25)15-7-3-12(19)4-8-15/h1-8,14,16,23H,9-10H2,(H,20,22)/t14-,16+/m1/s1
Definition date:2011-02-03
Last modified:2011-06-04
Identifier:(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide
C5P
C5P
Name:CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H14 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-cytidylic acid
QID
QID
Name:3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione
Formula:C14 H10 N2 O5 S
SMILES:O=S(=O)(c2ccc1c(C(=O)N(O)C(=O)N1)c2)c3ccccc3
InChi:InChI=1S/C14H10N2O5S/c17-13-11-8-10(6-7-12(11)15-14(18)16(13)19)22(20,21)9-4-2-1-3-5-9/h1-8,19H,(H,15,18)
Definition date:2011-02-08
Last modified:2011-06-04
Identifier:3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione
QIG
QIG
Name:N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
Formula:C21 H16 N6
SMILES:n1c(cccc1c3nc2c(cccc2)c(n3)Nc4cc5c(cc4)nnc5)C
InChi:InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
Definition date:2009-04-06
Last modified:2011-06-04
Identifier:N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
C62
C62
Name:4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
Formula:C14 H10 N2 O5 S2
SMILES:O=C1C(SC(=O)N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3
InChi:InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-
Definition date:2007-04-30
Last modified:2011-06-04
Identifier:4-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
C64
C64
Name:N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide
Formula:C18 H13 Br N4 O S
SMILES:Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1
InChi:InChI=1S/C18H13BrN4OS/c19-12-5-7-13(8-6-12)21-16(24)11-23-15-4-2-1-3-14(15)22-17(23)18-20-9-10-25-18/h1-10H,11H2,(H,21,24)
Definition date:2009-11-09
Last modified:2011-06-04
Identifier:N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]ethanamide
C6B
C6B
Name:[(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Formula:C9 H14 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1
Definition date:2008-11-30
Last modified:2011-06-04
Identifier:4-amino-1-(3-O-phosphono-beta-L-lyxofuranosyl)pyrimidin-2(1H)-one

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