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ISN
ISN
Name:ISATIN
Formula:C8 H5 N O2
SMILES:O=C2c1ccccc1NC2=O
InChi:InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
Definition date:2003-07-08
Last modified:2011-06-04
Identifier:1H-indole-2,3-dione
ISO
ISO
Name:PARA-ISOPROPYLANILINE
Formula:C9 H13 N
SMILES:Nc1ccc(cc1)C(C)C
InChi:InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-(propan-2-yl)aniline
ISQ
ISQ
Name:ISOQUINOLINE
Formula:C9 H7 N
SMILES:n2ccc1c(cccc1)c2
InChi:InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:isoquinoline
ISS
ISS
Name:(2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
Formula:C7 H11 N O3
SMILES:O=C(CN/C=C/C=O)CCO
InChi:InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-4,8,10H,2,5-6H2/b3-1+
Definition date:2007-10-24
Last modified:2011-06-04
Identifier:(2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
ITD
ITD
Name:(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate
Formula:C21 H34 N4 S2
SMILES:N2=C1SC=C(N1CC2(C)C)CSC(=N/C3CCCCC3)NC4CCCCC4
InChi:InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)
Definition date:2010-10-08
Last modified:2011-06-04
Identifier:(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate
ITI
ITI
Name:N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
Formula:C33 H29 N7 O2 S
SMILES:O=C(Nc6cccc(c1nc5sccn5c1c2nc(ncc2)Nc4ccc(N3CCOCC3)cc4)c6)Cc7ccccc7
InChi:InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
Definition date:2010-03-08
Last modified:2011-06-04
Identifier:N-{3-[5-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}-2-phenylacetamide
ITL
ITL
Name:(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid
Formula:C41 H66 N4 O13
SMILES:O=C(O)CN(CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)C(C(=O)O)CCC(=O)NC4CCC3(C(CCC2C1CCC(C1(C)CCC23)C(C)CCC(=O)O)C4)C
InChi:InChI=1S/C41H66N4O13/c1-25(4-11-34(47)48)29-7-8-30-28-6-5-26-20-27(12-14-40(26,2)31(28)13-15-41(29,30)3)42-33(46)10-9-32(39(57)58)45(18-16-43(21-35(49)50)22-36(51)52)19-17-44(23-37(53)54)24-38(55)56/h25-32H,4-24H2,1-3H3,(H,42,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/t25-,26-,27+,28+,29-,30+,31+,32+,40+,41-/m1/s1
Definition date:2008-07-09
Last modified:2011-06-04
Identifier:(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid
ITR
ITR
Name:IMINO-TRYPTOPHAN
Formula:C11 H10 N2 O2
SMILES:O=C(O)C(=[N@H])Cc2c1ccccc1nc2
InChi:InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)/b12-9-
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2Z)-2-imino-3-(1H-indol-3-yl)propanoic acid
IU
IU
Name:5-IODOURIDINE-5'-MONOPHOSPHATE
Formula:C9 H12 I N2 O9 P
SMILES:IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H12IN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Definition date:2005-05-31
Last modified:2011-06-04
Identifier:5-iodouridine 5'-(dihydrogen phosphate)
D5M
D5M
Name:2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Definition date:2005-05-03
Last modified:2011-06-04
Identifier:2'-deoxy-5'-adenylic acid
D71
D71
Name:1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Formula:C19 H13 N5 O4
SMILES:[O-][N+](=O)c4cccc(N2c1ncccc1C(=O)N(C2=O)Cc3ccncc3)c4
InChi:InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2
Definition date:2009-02-16
Last modified:2011-06-04
Identifier:1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
D72
D72
Name:(2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Formula:C15 H13 Cl2 F3 O4
SMILES:O=C(O)C1=Cc2c(OC1C(F)(F)F)c(Cl)c(OCC(C)C)c(Cl)c2
InChi:InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1
Definition date:2010-07-13
Last modified:2011-06-04
Identifier:(2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
D7K
D7K
Name:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Formula:C20 H28 N4 O11 P3 S
SMILES:O=P(O)(OP(=O)(O)O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(c3ccccc3)P(=O)(OC)O
InChi:InChI=1S/C20H27N4O11P3S/c1-13-17(9-10-34-38(31,32)35-37(28,29)30)39-19(24(13)12-15-11-22-14(2)23-18(15)21)20(25,36(26,27)33-3)16-7-5-4-6-8-16/h4-8,11,25H,9-10,12H2,1-3H3,(H5-,21,22,23,26,27,28,29,30,31,32)/p+1/t20-/m0/s1
Definition date:2008-05-22
Last modified:2011-06-04
Identifier:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
D8W
D8W
Name:5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
Formula:C8 H8 N4 O4 S3
SMILES:O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N
InChi:InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
Definition date:2008-05-27
Last modified:2011-06-04
Identifier:5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
D8Y
D8Y
Name:3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
Formula:C13 H13 Cl N2
SMILES:Nc1ncccc1CCc2cccc(Cl)c2
InChi:InChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16)
Definition date:2009-11-20
Last modified:2011-06-04
Identifier:3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
D94
D94
Name:3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
Formula:C30 H31 N7
SMILES:n2c1cc(ccc1ccc2c3ccccc3)c5nc(n4ccnc(N)c45)C7CC(N6CCN(CC6)C)C7
InChi:InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+
Definition date:2008-05-27
Last modified:2011-06-04
Identifier:3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
D9H
D9H
Name:4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide
Formula:C11 H13 Cl N6 O3 S
SMILES:Clc1nc(nc(n1)NCCO)Nc2ccc(cc2)S(=O)(=O)N
InChi:InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
Definition date:2010-04-21
Last modified:2011-06-04
Identifier:4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide
D9Z
D9Z
Name:5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
Formula:C8 H6 Cl N3 O2 S2
SMILES:O=S(=O)(c1nnc(s1)c2c(Cl)cccc2)N
InChi:InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
Definition date:2008-06-03
Last modified:2011-06-04
Identifier:5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
DA
DA
Name:2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Definition date:2001-01-25
Last modified:2011-06-04
Identifier:2'-deoxy-5'-adenylic acid
DA1
DA1
Name:PYRIDINE-2,5-DIAMINE
Formula:C5 H7 N3
SMILES:n1cc(N)ccc1N
InChi:InChI=1S/C5H7N3/c6-4-1-2-5(7)8-3-4/h1-3H,6H2,(H2,7,8)
Definition date:2005-08-29
Last modified:2011-06-04
Identifier:pyridine-2,5-diamine
DA4
DA4
Name:3-ethynylbenzenesulfonamide
Formula:C8 H7 N O2 S
SMILES:N[S](=O)(=O)c1cccc(c1)C#C
InChi:InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
Definition date:2009-11-05
Last modified:2011-06-04
Identifier:3-ethynylbenzenesulfonamide
DA7
DA7
Name:5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE
Formula:C18 H19 F N4 O
SMILES:O=C(NCCN(C)C)c2c1nc3c(c(c1ccc2)N)cccc3F
InChi:InChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
Definition date:1999-12-13
Last modified:2011-06-04
Identifier:9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
DAD
DAD
Name:2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE
Formula:C10 H16 N5 O11 P3
SMILES:Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
InChi:InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[[(2R,5S)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
DAE
DAE
Name:O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-BERYLLIUM TRIFLUORIDE
Formula:C8 H10 Be F3 N3 O11 P2
SMILES:O[P](=O)(OCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F
InChi:InChI=1S/C8H11N3O11P2.Be.3FH/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-21-24(19,20)22-23(16,17)18
Definition date:1999-09-22
Last modified:2011-06-04
Identifier:[[2-[(2,4-dinitrophenyl)amino]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium
DAP
DAP
Name:6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE
Formula:C16 H15 N5
SMILES:[N@H]=C(N)c3ccc(c2cc1ccc(cc1n2)C(=[N@H])N)cc3
InChi:InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide

223532

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