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WXV
WXV
Name:N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
Formula:C18 H23 N7 O3 S
SMILES:O=S(=O)(N4CCC(Nc3nc2c1n(nc(C(=O)NC)c1ccc2cn3)C)CC4)C
InChi:InChI=1S/C18H23N7O3S/c1-19-17(26)15-13-5-4-11-10-20-18(22-14(11)16(13)24(2)23-15)21-12-6-8-25(9-7-12)29(3,27)28/h4-5,10,12H,6-9H2,1-3H3,(H,19,26)(H,20,21,22)
Definition date:2009-11-10
Last modified:2011-06-04
Identifier:N,1-dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
JCL
JCL
Name:4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE
Formula:C8 H12 Cl N2 O6 P
SMILES:ClC1=C(C(=O)NC(=O)N1)CCCCOP(=O)(O)O
InChi:InChI=1S/C8H12ClN2O6P/c9-6-5(7(12)11-8(13)10-6)3-1-2-4-17-18(14,15)16/h1-4H2,(H2,14,15,16)(H2,10,11,12,13)
Definition date:2005-12-09
Last modified:2011-06-04
Identifier:4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl dihydrogen phosphate
C2U
C2U
Name:3,5-dichloro-2-hydroxybenzoic acid
Formula:C7 H4 Cl2 O3
SMILES:Clc1cc(Cl)cc(C(=O)O)c1O
InChi:InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
Definition date:2008-01-31
Last modified:2011-06-04
Identifier:3,5-dichloro-2-hydroxybenzoic acid
XTY
XTY
Name:(1R)-1,4-ANHYDRO-2-DEOXY-1-(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-8-YL)-5-O-PHOSPHONO-D-ERYTHRO-PENTITOL
Formula:C14 H17 N2 O8 P
SMILES:O=P(OCC3OC(c2cc(cc1C(=O)NC(=O)Nc12)C)CC3O)(O)O
InChi:InChI=1S/C14H17N2O8P/c1-6-2-7(12-8(3-6)13(18)16-14(19)15-12)10-4-9(17)11(24-10)5-23-25(20,21)22/h2-3,9-11,17H,4-5H2,1H3,(H2,20,21,22)(H2,15,16,18,19)/t9-,10+,11+/m0/s1
Definition date:2006-09-26
Last modified:2011-06-04
Identifier:(1R)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-O-phosphono-D-erythro-pentitol
UCP
UCP
Name:PHOSPHOMETHYL PHOSPHONIC ACID DEOXYURIDYLATE ESTER
Formula:C10 H17 N2 O13 P3
SMILES:O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:InChI=1S/C10H17N2O13P3/c13-6-3-9(12-2-1-8(14)11-10(12)15)24-7(6)4-23-28(21,22)25-27(19,20)5-26(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]uridine
AVX
AVX
Name:3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine
Formula:C11 H10 Br N3 O2
SMILES:Brc1cc(cc2OCOc12)c3nn(c(N)c3)C
InChi:InChI=1S/C11H10BrN3O2/c1-15-10(13)4-8(14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5,13H2,1H3
Definition date:2010-09-29
Last modified:2011-06-04
Identifier:3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine
P2T
P2T
Name:2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE
Formula:C13 H21 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCC)COP(=O)(O)O
InChi:InChI=1S/C13H21N2O9P/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/h5,8-10,12,16H,3-4,6H2,1-2H3,(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-propyluridine 5'-(dihydrogen phosphate)
LSW
LSW
Name:N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan
Formula:C27 H34 N4 O5
SMILES:NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O
InChi:InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1
Definition date:2010-02-23
Last modified:2011-06-04
Identifier:(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]amino]-1-oxo-hexan-2-yl]amino]-4-phenyl-butanoic acid
XDK
XDK
Name:2-AMINO-4-PYRIDYL-PYRIMIDINE
Formula:C9 H8 N4
SMILES:n2c(c1cnccc1)ccnc2N
InChi:InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
Definition date:2010-05-04
Last modified:2011-06-04
Identifier:4-pyridin-3-ylpyrimidin-2-amine
P2U
P2U
Name:2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE
Formula:C9 H13 N2 O8 P
SMILES:O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O
InChi:InChI=1S/C9H13N2O8P/c12-5-1-6(4-2-10-9(14)11-8(4)13)19-7(5)3-18-20(15,16)17/h2,5-7,12H,1,3H2,(H2,15,16,17)(H2,10,11,13,14)/t5-,6+,7+/m0/s1
Definition date:2000-03-23
Last modified:2011-06-04
Identifier:(1R)-1,4-anhydro-2-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol
T4K
T4K
Name:(2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C24 H35 N4 O19 P3
SMILES:O=P(OC2OC(C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C(O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O
InChi:InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)20(31)18(12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18-,20+,21-,23-/m1/s1
Definition date:2007-05-03
Last modified:2011-06-04
Identifier:(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
C31
C31
Name:2'-O-3-AMINOPROPYL CYTIDINE-5'-MONOPHOSPHATE
Formula:C12 H21 N4 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2OCCCN)COP(=O)(O)O
InChi:InChI=1S/C12H21N4O8P/c13-3-1-5-22-10-9(17)7(6-23-25(19,20)21)24-11(10)16-4-2-8(14)15-12(16)18/h2,4,7,9-11,17H,1,3,5-6,13H2,(H2,14,15,18)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1
Definition date:1999-12-02
Last modified:2011-06-04
Identifier:2'-O-(3-aminopropyl)cytidine 5'-(dihydrogen phosphate)
R
R
Name:2'-DEOXY-N6-(R)STYRENE OXIDE ADENOSINE MONOPHOSPHATE
Formula:C18 H22 N5 O7 P
SMILES:O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NC(c3ccccc3)CO)CC4O
InChi:InChI=1S/C18H22N5O7P/c24-7-12(11-4-2-1-3-5-11)22-17-16-18(20-9-19-17)23(10-21-16)15-6-13(25)14(30-15)8-29-31(26,27)28/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,22)(H2,26,27,28)/t12-,13-,14+,15+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]adenosine 5'-(dihydrogen phosphate)
ZDU
ZDU
Name:5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:C12 H20 N3 O8 P
SMILES:O=C1NC(=O)N(C=C1CCCN)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C12H20N3O8P/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(23-10)6-22-24(19,20)21/h5,8-10,16H,1-4,6,13H2,(H,14,17,18)(H2,19,20,21)/t8-,9+,10+/m0/s1
Definition date:2005-04-08
Last modified:2011-06-04
Identifier:5-(3-aminopropyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)
LT1
LT1
Name:(3-chloropropyl)benzene
Formula:C9 H11 Cl
SMILES:ClCCCc1ccccc1
InChi:InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
Definition date:2009-02-17
Last modified:2011-06-04
Identifier:(3-chloropropyl)benzene
LT2
LT2
Name:(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
Formula:C8 H7 N O3
SMILES:O=C1C=C2C(=CC1=O)NCC2O
InChi:InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,12H,3H2/t8-/m1/s1
Definition date:2009-05-08
Last modified:2011-06-04
Identifier:(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
C34
C34
Name:N4-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O7 P
SMILES:O=C1N=C(NC)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O7P/c1-11-8-2-3-13(10(15)12-8)9-4-6(14)7(20-9)5-19-21(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:1994-01-31
Last modified:2011-06-04
Identifier:2'-deoxy-N-methylcytidine 5'-(dihydrogen phosphate)
LT3
LT3
Name:(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
Formula:C12 H12 F3 N
SMILES:FC(F)(F)c1cccc2c1C3CCC2C3N
InChi:InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1
Definition date:2009-05-08
Last modified:2011-06-04
Identifier:(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
T4P
T4P
Name:3-{2,6,8-TRIOXO-9-[(2R,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-/m1/s1
Definition date:2004-06-18
Last modified:2011-06-04
Identifier:5-deoxy-5-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol
XUA
XUA
Name:2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)
Formula:C11 H16 N5 O6 P Se
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C([Se]C)C3O
InChi:InChI=1S/C11H16N5O6PSe/c1-24-8-7(17)5(2-21-23(18,19)20)22-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
Definition date:2009-07-27
Last modified:2011-06-04
Identifier:2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)
P32
P32
Name:4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
Formula:C16 H21 N3 O2
SMILES:N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2
InChi:InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1
Definition date:2008-05-09
Last modified:2011-06-04
Identifier:4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
UD0
UD0
Name:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid
Formula:C25 H34 N5 O22 P3
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4NC(=O)C)O)O
InChi:InChI=1S/C25H34N5O22P3/c1-9-17(33)12(11(5-26-9)7-47-53(40,41)42)6-27-15-16(28-10(2)31)24(50-21(19(15)35)23(37)38)51-55(45,46)52-54(43,44)48-8-13-18(34)20(36)22(49-13)30-4-3-14(32)29-25(30)39/h3-6,13,15-16,18-22,24,33-36H,7-8H2,1-2H3,(H,28,31)(H,37,38)(H,43,44)(H,45,46)(H,29,32,39)(H2,40,41,42)/b27-6+/t13-,15+,16+,18-,19-,20-,21-,22+,24+/m0/s1
Definition date:2010-07-13
Last modified:2011-06-04
Identifier:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid
UD1
UD1
Name:URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Formula:C17 H27 N3 O17 P2
SMILES:O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
C37
C37
Name:5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 F N3 O7 P
SMILES:FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C9H13FN3O7P/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:1995-06-03
Last modified:2011-06-04
Identifier:2'-deoxy-5-fluorocytidine 5'-(dihydrogen phosphate)
LT6
LT6
Name:2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
Formula:C23 H29 F N2 O4
SMILES:CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[CH](CO)Cc2ccccc2
InChi:InChI=1S/C23H29FN2O4/c1-3-4-13-26(2)23(29)22-19(24)11-8-12-20(22)30-16-21(28)25-18(15-27)14-17-9-6-5-7-10-17/h5-12,18,27H,3-4,13-16H2,1-2H3,(H,25,28)/t18-/m0/s1
Definition date:2010-02-03
Last modified:2011-06-04
Identifier:N-butyl-2-fluoro-6-[2-[[(2S)-1-hydroxy-3-phenyl-propan-2-yl]amino]-2-oxo-ethoxy]-N-methyl-benzamide

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数据于2024-10-16公开中

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