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CDD
CDD
Name:2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE
Formula:C20 H17 Cl F3 N5 O3
SMILES:Fc1ccccc1CNC(=O)CN3C(Cl)=CN=C(NCC(F)(F)c2[n+]([O-])cccc2)C3=O
InChi:InChI=1S/C20H17ClF3N5O3/c21-16-10-26-18(27-12-20(23,24)15-7-3-4-8-29(15)32)19(31)28(16)11-17(30)25-9-13-5-1-2-6-14(13)22/h1-8,10H,9,11-12H2,(H,25,30)(H,26,27)
Definition date:2002-10-02
Last modified:2011-06-04
Identifier:2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2H)-yl]-N-(2-fluorobenzyl)acetamide
CDF
CDF
Name:4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]-ALPHA-D-ARABINOFURANOSYL}PYRIMIDIN-2(1H)-ONE
Formula:C9 H15 N3 O11 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8+/m1/s1
Definition date:2008-04-23
Last modified:2011-06-04
Identifier:4-amino-1-{5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-arabinofuranosyl}pyrimidin-2(1H)-one
CDG
CDG
Name:METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE
Formula:C10 H16 O8
SMILES:O=C(O)C1(OCC2OC(OC)C(O)C(O)C2O1)C
InChi:InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1
Definition date:2002-04-25
Last modified:2011-06-04
Identifier:methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside
CDK
CDK
Name:4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE
Formula:C18 H21 N5 O4 S2
SMILES:O=C3SC(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)NCCOC)=C(N3C)C
InChi:InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22)
Definition date:2010-07-29
Last modified:2011-06-04
Identifier:4-{[4-(3,4-dimethyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}-N-(2-methoxyethyl)benzenesulfonamide
CDM
CDM
Name:4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL
Formula:C14 H25 N3 O14 P2
SMILES:O=P(O)(OCC(O)C(O)(C)CO)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1
Definition date:2001-05-22
Last modified:2011-06-04
Identifier:5'-O-[(R)-hydroxy{[(S)-hydroxy{[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl]oxy}phosphoryl]oxy}phosphoryl]cytidine
CDO
CDO
Name:2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID
Formula:C23 H32 N6 O4
SMILES:O=C(NCc1ccc(nc1)C(=[N@H])N)C3C=CCN3C(=O)C(NCC(=O)O)CC2CCCCC2
InChi:InChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1
Definition date:2005-08-23
Last modified:2011-06-04
Identifier:N-[(1R)-2-[(2S)-2-{[(6-carbamimidoylpyridin-3-yl)methyl]carbamoyl}-2,5-dihydro-1H-pyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxoethyl]glycine
CDP
CDP
Name:CYTIDINE-5'-DIPHOSPHATE
Formula:C9 H15 N3 O11 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:1999-07-15
Last modified:2011-06-04
Identifier:cytidine 5'-(trihydrogen diphosphate)
CDQ
CDQ
Name:6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Formula:C18 H14 Cl N O5
SMILES:O=C(O)c2c(ccc1OCCOc12)CN4c3ccc(Cl)cc3CC4=O
InChi:InChI=1S/C18H14ClNO5/c19-12-2-3-13-11(7-12)8-15(21)20(13)9-10-1-4-14-17(16(10)18(22)23)25-6-5-24-14/h1-4,7H,5-6,8-9H2,(H,22,23)
Definition date:2010-07-05
Last modified:2011-06-04
Identifier:6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CDW
CDW
Name:(4R)-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-1,3-DIAZABICYCLO[2.2.0]HEX-5-EN-2-ONE
Formula:C9 H13 N2 O7 P
SMILES:O=C2N1C=CC1N2C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O7P/c12-5-3-8(11-7-1-2-10(7)9(11)13)18-6(5)4-17-19(14,15)16/h1-2,5-8,12H,3-4H2,(H2,14,15,16)/t5-,6+,7+,8+/m0/s1
Definition date:2009-08-14
Last modified:2011-06-04
Identifier:(4R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one
CDY
CDY
Name:2-CHLORODIDEOXYADENOSINE
Formula:C10 H12 Cl N5 O2
SMILES:Clc1nc(c2ncn(c2n1)C3OC(CC3)CO)N
InChi:InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1
Definition date:2003-09-11
Last modified:2011-06-04
Identifier:[(2S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)tetrahydrofuran-2-yl]methanol
CEE
CEE
Name:(2-chloroethyl)benzene
Formula:C8 H9 Cl
SMILES:ClCCc1ccccc1
InChi:InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
Definition date:2009-02-16
Last modified:2011-06-04
Identifier:(2-chloroethyl)benzene
CEJ
CEJ
Name:CYCLOPENTANE-1,3-DIONE
Formula:C5 H6 O2
SMILES:O=C1CC(=O)CC1
InChi:InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
Definition date:2006-03-26
Last modified:2011-06-04
Identifier:cyclopentane-1,3-dione
CEM
CEM
Name:N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE
Formula:C8 H11 N O5
SMILES:O=CCC(O)C(NC=C/C=O)C(=O)O
InChi:InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h1,3-7,9,12H,2H2,(H,13,14)/b3-1-/t6-,7+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3S)-3-hydroxy-5-oxo-N-[(1Z)-3-oxoprop-1-en-1-yl]-D-norvaline
CF2
CF2
Name:2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine
Formula:C25 H26 N10 O7
SMILES:O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCNC(=O)OCC6OC(n5cnc4c5N=C(N)NC4=O)CC6O)C)C
InChi:InChI=1S/C25H26N10O7/c1-10-5-12-13(6-11(10)2)34(20-18(29-12)22(38)33-24(39)31-20)4-3-27-25(40)41-8-15-14(36)7-16(42-15)35-9-28-17-19(35)30-23(26)32-21(17)37/h5-6,9,14-16,36H,3-4,7-8H2,1-2H3,(H,27,40)(H,33,38,39)(H3,26,30,32,37)/t14-,15+,16+/m0/s1
Definition date:2007-12-19
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine
CF3
CF3
Name:9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE
Formula:C15 H18 F3 N O2
SMILES:O=C(Nc1ccccc1)CCCCCCC(=O)C(F)(F)F
InChi:InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
Definition date:2006-04-21
Last modified:2011-06-04
Identifier:9,9,9-trifluoro-8-oxo-N-phenylnonanamide
CF4
CF4
Name:[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid
Formula:C17 H19 N5 O4
SMILES:O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCCCNC(=O)O)C)C
InChi:InChI=1S/C17H19N5O4/c1-9-7-11-12(8-10(9)2)22(6-4-3-5-18-17(25)26)14-13(19-11)15(23)21-16(24)20-14/h7-8,18H,3-6H2,1-2H3,(H,25,26)(H,21,23,24)
Definition date:2007-12-19
Last modified:2011-06-04
Identifier:[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid
CF5
CF5
Name:COFORMYCIN 5'-PHOSPHATE
Formula:C11 H17 N4 O8 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c2N=CNCC1O)C(O)C3O
InChi:InChI=1S/C11H17N4O8P/c16-5-1-12-3-13-10-7(5)14-4-15(10)11-9(18)8(17)6(23-11)2-22-24(19,20)21/h3-6,8-9,11,16-18H,1-2H2,(H,12,13)(H2,19,20,21)/t5-,6-,8-,9-,11-/m1/s1
Definition date:2005-06-29
Last modified:2011-06-04
Identifier:(8R)-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
CFH
CFH
Name:1,1,1,3,3,3-hexafluoropropan-2-ol
Formula:C3 H2 F6 O
SMILES:FC(F)(F)C(O)C(F)(F)F
InChi:InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
Definition date:2009-06-19
Last modified:2011-06-04
Identifier:1,1,1,3,3,3-hexafluoropropan-2-ol
CFT
CFT
Name:TRIFLUOROMETHANE
Formula:C H F3
SMILES:FC(F)F
InChi:InChI=1S/CHF3/c2-1(3)4/h1H
Definition date:2003-01-31
Last modified:2011-06-04
Identifier:trifluoromethane
CFV
CFV
Name:[(2R)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
Formula:C8 H14 N3 O6 P
SMILES:O=C1N=C(C=CN1CC(OCP(=O)(O)O)CO)N
InChi:InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m1/s1
Definition date:2008-10-05
Last modified:2011-06-04
Identifier:{[(1R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid
CFZ
CFZ
Name:2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
Formula:C9 H13 F N3 O7 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)C2O
InChi:InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:2010-04-13
Last modified:2011-06-04
Identifier:2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
CG
CG
Name:4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE
Formula:C11 H14 N6
SMILES:[N@H]=C(c1cccc2c1CCC/2=N/NC(=[N@H])N)N
InChi:InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+
Definition date:2001-03-13
Last modified:2011-06-04
Identifier:(2E)-2-(4-carbamimidoyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide
CG1
CG1
Name:5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine
Formula:C11 H16 N5 O8 P
SMILES:O=P(O)(OC)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C11H16N5O8P/c1-22-25(20,21)23-2-4-6(17)7(18)10(24-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Definition date:2008-03-26
Last modified:2011-06-04
Identifier:5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine
CG2
CG2
Name:CYTIDYL-2'-5'-PHOSPHO-GUANOSINE
Formula:C19 H25 N8 O12 P
SMILES:O=C1N=C(N)C=CN1C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
InChi:InChI=1S/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-13(11(30)6(3-28)37-17)39-40(34,35)36-4-7-10(29)12(31)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
Definition date:2003-06-28
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (R)-phosphate (non-preferred name)
CG3
CG3
Name:HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM
Formula:C6 H6 N O3
SMILES:O=[N+](O)c1ccccc1O
InChi:InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H-,8,9,10)/p+1
Definition date:2009-07-08
Last modified:2011-06-04
Identifier:hydroxy(2-hydroxyphenyl)oxoammonium

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