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OA2
OA2
Name:2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE
Formula:C18 H17 N3 O2
SMILES:O=C(N(Cc1ccccc1)Cc2ccccc2)c3oc(nc3)N
InChi:InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20)
Definition date:2008-12-18
Last modified:2011-06-04
Identifier:2-amino-N,N-dibenzyl-1,3-oxazole-5-carboxamide
VNI
VNI
Name:N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Formula:C26 H19 Cl2 N5 O2
SMILES:Clc1ccc(c(Cl)c1)C(NC(=O)c4ccc(c2nnc(o2)c3ccccc3)cc4)Cn5ccnc5
InChi:InChI=1S/C26H19Cl2N5O2/c27-20-10-11-21(22(28)14-20)23(15-33-13-12-29-16-33)30-24(34)17-6-8-19(9-7-17)26-32-31-25(35-26)18-4-2-1-3-5-18/h1-14,16,23H,15H2,(H,30,34)/t23-/m0/s1
Definition date:2009-04-01
Last modified:2011-06-04
Identifier:N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PIY
PIY
Name:2-phenyl-1H-imidazole
Formula:C9 H8 N2
SMILES:n1ccnc1c2ccccc2
InChi:InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)
Definition date:2010-06-08
Last modified:2011-06-04
Identifier:2-phenyl-1H-imidazole
P47
P47
Name:(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
Formula:C17 H15 Cl O2
SMILES:Clc1ccc(cc1)CCC(c2ccccc2)=CC(=O)O
InChi:InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
Definition date:2009-06-30
Last modified:2011-06-04
Identifier:(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
TZZ
TZZ
Name:TRIMETHYL PHOSPHATE
Formula:C3 H9 O4 P
SMILES:O=P(OC)(OC)OC
InChi:InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
Definition date:2005-09-13
Last modified:2011-06-04
Identifier:trimethyl phosphate
P49
P49
Name:1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
Formula:C17 H15 N5 O2
SMILES:O=C(O)c2nn(c3c1nc(ncc1CCc23)Nc4ccccc4)C
InChi:InChI=1S/C17H15N5O2/c1-22-15-12(14(21-22)16(23)24)8-7-10-9-18-17(20-13(10)15)19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,23,24)(H,18,19,20)
Definition date:2009-05-14
Last modified:2011-06-04
Identifier:1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
OA5
OA5
Name:6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
Formula:C11 H13 N5 O2
SMILES:O(c1nc(nc(n1)N)N)CCOc2ccccc2
InChi:InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)
Definition date:2008-12-18
Last modified:2011-06-04
Identifier:6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
SRT
SRT
Name:S,R MESO-TARTARIC ACID
Formula:C4 H6 O6
SMILES:O=C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+
Definition date:2005-09-15
Last modified:2011-06-04
Identifier:(2R,3S)-2,3-dihydroxybutanedioic acid
NUP
NUP
Name:6-AMINOURIDINE 5'-MONOPHOSPHATE
Formula:C9 H14 N3 O9 P
SMILES:O=C1NC(=O)N(C(N)=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
Definition date:2007-06-28
Last modified:2011-06-04
Identifier:6-aminouridine 5'-(dihydrogen phosphate)
TLN
TLN
Name:[(1R,3R,4R,7S)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:C11 H15 N2 O9 P
SMILES:O=C1C(=CN(C(=O)N1)C3OC2(C(O)C3OC2)COP(=O)(O)O)C
InChi:InChI=1S/C11H15N2O9P/c1-5-2-13(10(16)12-8(5)15)9-6-7(14)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,16)(H2,17,18,19)/t6-,7+,9-,11-/m1/s1
Definition date:2001-01-04
Last modified:2011-06-04
Identifier:1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
X2M
X2M
Name:(3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
Formula:C15 H14 N2 O
SMILES:O=C2C(c1ccccc1N2)=C/c3c(cc(n3)C)C
InChi:InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
Definition date:2010-01-13
Last modified:2011-06-04
Identifier:(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one
NGH
NGH
Name:N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID
Formula:C13 H20 N2 O5 S
SMILES:O=C(NO)CN(S(=O)(=O)c1ccc(OC)cc1)CC(C)C
InChi:InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
Definition date:2003-08-06
Last modified:2011-06-04
Identifier:N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-methylpropyl)glycinamide
PJ7
PJ7
Name:4-aminofuran-2-carboxylic acid
Formula:C5 H5 N O3
SMILES:O=C(O)c1occ(N)c1
InChi:InChI=1S/C5H5NO3/c6-3-1-4(5(7)8)9-2-3/h1-2H,6H2,(H,7,8)
Definition date:2010-10-20
Last modified:2011-06-04
Identifier:4-aminofuran-2-carboxylic acid
YHO
YHO
Name:(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
Formula:C5 H11 N O3
SMILES:OC1CC(N)C(O)C1O
InChi:InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
Definition date:2008-07-25
Last modified:2011-06-04
Identifier:(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
XI2
XI2
Name:6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine
Formula:C15 H15 F2 N5 O3 S
SMILES:Fc3ccc(Oc1ncc2c(n1)nnc2NC(C)CS(=O)(=O)C)c(F)c3
InChi:InChI=1S/C15H15F2N5O3S/c1-8(7-26(2,23)24)19-13-10-6-18-15(20-14(10)22-21-13)25-12-4-3-9(16)5-11(12)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)/t8-/m1/s1
Definition date:2009-01-05
Last modified:2011-06-04
Identifier:6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine
USM
USM
Name:2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate)
Formula:C10 H15 N2 O8 P S
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2SC)COP(=O)(O)O
InChi:InChI=1S/C10H15N2O8PS/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
Definition date:2008-10-29
Last modified:2011-06-04
Identifier:2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate)
XI7
XI7
Name:2-4-DIOXO-4-PHENYLBUTANOIC ACID
Formula:C10 H8 O4
SMILES:O=C(c1ccccc1)CC(=O)C(=O)O
InChi:InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Definition date:2010-06-28
Last modified:2011-06-04
Identifier:2,4-dioxo-4-phenylbutanoic acid
PY0
PY0
Name:(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
Formula:C3 H8 N O3
SMILES:[O-]C(O)(N)C(O)C
InChi:InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1
Definition date:2009-01-21
Last modified:2011-06-04
Identifier:(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
OAG
OAG
Name:6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine
Formula:C14 H12 Cl2 N6
SMILES:Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1
InChi:InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
Definition date:2010-01-08
Last modified:2011-06-04
Identifier:6-[[(2,5-dichlorophenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
NGM
NGM
Name:NOGALAMYCIN
Formula:C39 H49 N O16
SMILES:O=C(OC)C7c4c(c(O)c5C(=O)c3c(O)cc1c(OC2OC1(C(O)C(N(C)C)C2O)C)c3C(=O)c5c4)C(OC6OC(C)C(OC)C(OC)(C)C6OC)CC7(O)C
InChi:InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:methyl (2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
USQ
USQ
Name:SULFOQUINOVOSE-URIDINE-C1,5'-DIPHOSPHATE
Formula:C15 H24 N2 O19 P2 S
SMILES:O=P(OC1OC(C(O)C(O)C1O)CS(=O)(=O)O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
Definition date:2001-02-13
Last modified:2011-06-04
Identifier:[(2S,3S,4S,5R,6R)-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methanesulfonic acid (non-preferred name)
PY1
PY1
Name:4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE
Formula:C17 H12 N4
SMILES:n3ccc(c1c(nnc1)c2ncccc2)c4ccccc34
InChi:InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
Definition date:2003-07-21
Last modified:2011-06-04
Identifier:4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
OAH
OAH
Name:9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine
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+/m1/s1
Definition date:2011-03-03
Last modified:2011-06-04
Identifier:9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine
P4L
P4L
Name:2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
Formula:C12 H11 N3 O S
SMILES:n1c(O)c3c(nc1c2ncccc2)CCSC3
InChi:InChI=1S/C12H11N3OS/c16-12-8-7-17-6-4-9(8)14-11(15-12)10-3-1-2-5-13-10/h1-3,5H,4,6-7H2,(H,14,15,16)
Definition date:2010-04-14
Last modified:2011-06-04
Identifier:2-(pyridin-2-yl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
OAI
OAI
Name:6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID
Formula:C11 H8 N2 O5
SMILES:O=C(O)C(=O)Nc1c(cc2c(c1)ncc2)C(=O)O
InChi:InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
Definition date:2000-04-17
Last modified:2011-06-04
Identifier:6-[(carboxycarbonyl)amino]-1H-indole-5-carboxylic acid

223532

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