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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

877

877
Name:	N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE
Formula:	C18 H19 Br N4 O4
SMILES:	Brc1c(OC)cc(c(OC)c1)CC(=O)Nc2nc(OCC)c(C#N)c(c2)N
InChi:	InChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24)
Definition date:	2006-04-18
Last modified:	2011-06-04
Identifier:	N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide

879

879
Name:	6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine
Formula:	C26 H20 Cl N5 O
SMILES:	Nc1cccc(Cn2c(ccc2c3ccccc3Cl)c4ccc(Oc5cncnc5)cc4)n1
InChi:	InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31)
Definition date:	2010-01-20
Last modified:	2011-06-04
Identifier:	6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

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

KRV

KRV
Name:	3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
Formula:	C18 H19 N3 O3
SMILES:	CCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:	InChI=1S/C18H19N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10H,5H2,1-4H3,(H,20,23,24)
Definition date:	2010-01-15
Last modified:	2011-06-04
Identifier:	3-(3-ethyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile

N7R

N7R
Name:	N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
Formula:	C26 H27 F5 N6 O3
SMILES:	O=C(NC2C(=O)N(CC(F)(F)F)CC(c1cccc(F)c1F)CC2)N5CCC(N4c3cccnc3NC4=O)CC5
InChi:	InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
Definition date:	2010-06-11
Last modified:	2011-06-04
Identifier:	N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

RCP

RCP
Name:	(3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE
Formula:	C30 H35 N3 O3
SMILES:	O=C(N1CCOCC1)C6CCCN(C5CCN(C(=O)c4c2ccccc2cc3ccccc34)CC5)C6
InChi:	InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
Definition date:	2004-07-09
Last modified:	2011-06-04
Identifier:	(3R)-1'-(anthracen-9-ylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine

OX1

OX1
Name:	[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Formula:	C18 H16 O4
SMILES:	O=C(O)CCC24OOC(c1ccccc12)(c3c4cccc3)C
InChi:	InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+
Definition date:	2002-06-17
Last modified:	2011-06-04
Identifier:	3-(10-methyl-9,10-epidioxyanthracen-9(10H)-yl)propanoic acid

QIX

QIX
Name:	N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2-NAPHTHYLMETHYL)-4-OXOBUTANOYL]-L-ARGINYLGLYCYLGLYCINAMIDE
Formula:	C25 H34 N8 O6
SMILES:	O=C(N)CNC(=O)CNC(=O)C(NC(=O)C(CC(=O)NO)Cc2ccc1c(cccc1)c2)CCCNC(=[N@H])N
InChi:	InChI=1S/C25H34N8O6/c26-20(34)13-30-22(36)14-31-24(38)19(6-3-9-29-25(27)28)32-23(37)18(12-21(35)33-39)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,7-8,10,18-19,39H,3,6,9,11-14H2,(H2,26,34)(H,30,36)(H,31,38)(H,32,37)(H,33,35)(H4,27,28,29)/t18-,19+/m1/s1
Definition date:	2007-07-12
Last modified:	2011-06-04
Identifier:	N~2~-[(2R)-4-(hydroxyamino)-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]-L-arginylglycylglycinamide

OX6

OX6
Name:	TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
Formula:	C11 H19 N3 O3
SMILES:	O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
InChi:	InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1
Definition date:	2007-05-22
Last modified:	2011-06-04
Identifier:	tert-butyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

OX7

OX7
Name:	TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
Formula:	C11 H19 N3 O3
SMILES:	O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
InChi:	InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
Definition date:	2007-05-22
Last modified:	2011-06-04
Identifier:	tert-butyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

KSF

KSF
Name:	N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Formula:	C18 H13 Cl N4
SMILES:	Clc1ccccc1Nc3ncc(n2c3cnc2)c4ccccc4
InChi:	InChI=1S/C18H13ClN4/c19-14-8-4-5-9-15(14)22-18-17-10-20-12-23(17)16(11-21-18)13-6-2-1-3-7-13/h1-12H,(H,21,22)
Definition date:	2008-04-14
Last modified:	2011-06-04
Identifier:	N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine

N87

N87
Name:	(1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid
Formula:	C20 H18 O6
SMILES:	O=C(O)C3(O)C=C(c2cccc(C(=O)c1ccccc1)c2)C(O)C(O)C3
InChi:	InChI=1S/C20H18O6/c21-16-11-20(26,19(24)25)10-15(18(16)23)13-7-4-8-14(9-13)17(22)12-5-2-1-3-6-12/h1-10,16,18,21,23,26H,11H2,(H,24,25)/t16-,18-,20+/m1/s1
Definition date:	2010-06-03
Last modified:	2011-06-04
Identifier:	(1R,4R,5R)-3-(3-benzoylphenyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid

N8C

N8C
Name:	1-nitrooctane
Formula:	C8 H17 N O2
SMILES:	[O-][N+](=O)CCCCCCCC
InChi:	InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
Definition date:	2008-06-03
Last modified:	2011-06-04
Identifier:	1-nitrooctane

QJ9

QJ9
Name:	1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C26 H25 N5 O2
SMILES:	O=C2N(c1ccccc1N2C6CCCN(c3nccc(n3)c5oc4ccccc4c5)C6)CC
InChi:	InChI=1S/C26H25N5O2/c1-2-30-21-10-4-5-11-22(21)31(26(30)32)19-9-7-15-29(17-19)25-27-14-13-20(28-25)24-16-18-8-3-6-12-23(18)33-24/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3/t19-/m0/s1
Definition date:	2011-02-01
Last modified:	2011-06-04
Identifier:	1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one

SK1

SK1
Name:	N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE
Formula:	C21 H27 N5 O5 S
SMILES:	O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(C(=[N@H])N)cc1)C)CO)Cc2ccccc2
InChi:	InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1
Definition date:	2004-06-15
Last modified:	2011-06-04
Identifier:	N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-alaninamide

SK2

SK2
Name:	(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
Formula:	C19 H21 N3 O6 S
SMILES:	O=S(=O)(O)Nc1ccc3c(c1)CN(C(=O)OCc2ccccc2)C(C(=O)NC)C3
InChi:	InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1
Definition date:	2005-12-05
Last modified:	2011-06-04
Identifier:	[(3S)-2-[(benzyloxy)carbonyl]-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid

OXG

OXG
Name:	8-OXOGUANINE
Formula:	C5 H3 N5 O2
SMILES:	O=C1C2=NC(=O)N=C2N=C(N1)N
InChi:	InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)
Definition date:	2001-01-10
Last modified:	2011-06-04
Identifier:	2-amino-1H-purine-6,8-dione

KSL

KSL
Name:	N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Formula:	C20 H18 N4
SMILES:	n2cc(n1c(cnc1)c2Nc3c(cccc3C)C)c4ccccc4
InChi:	InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)
Definition date:	2008-05-13
Last modified:	2011-06-04
Identifier:	N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine

SK3

SK3
Name:	(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL
Formula:	C12 H17 N O4
SMILES:	OC2C(NCc1ccccc1)C(O)C(O)C2O
InChi:	InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12-
Definition date:	2006-01-24
Last modified:	2011-06-04
Identifier:	(1R,2R,3S,4S,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol

RDD

RDD
Name:	1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione
Formula:	C8 H11 N3 O7
SMILES:	O=C1N(C(=O)NC(=O)N1)C2OC(C(O)C2O)CO
InChi:	InChI=1S/C8H11N3O7/c12-1-2-3(13)4(14)5(18-2)11-7(16)9-6(15)10-8(11)17/h2-5,12-14H,1H2,(H2,9,10,15,16,17)/t2-,3-,4-,5-/m1/s1
Definition date:	2007-11-16
Last modified:	2011-06-04
Identifier:	1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione

OXK

OXK
Name:	OXALYL-COENZYME A
Formula:	C23 H36 N7 O19 P3 S
SMILES:	O=C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t11-,14-,15-,16+,20-/m1/s1
Definition date:	2007-02-26
Last modified:	2011-06-04
Identifier:	(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name)

KSR

KSR
Name:	6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
Formula:	C16 H14 N4 O
SMILES:	COc1ccc2n(C)cc(c3[nH]c4nccnc4c3)c2c1
InChi:	InChI=1S/C16H14N4O/c1-20-9-12(11-7-10(21-2)3-4-15(11)20)13-8-14-16(19-13)18-6-5-17-14/h3-9H,1-2H3,(H,18,19)
Definition date:	2010-01-13
Last modified:	2011-06-04
Identifier:	6-(5-methoxy-1-methyl-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine

N8M

N8M
Name:	5'-deoxy-5'-(dimethylamino)-8-methyladenosine
Formula:	C13 H20 N6 O3
SMILES:	n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(C)C)N
InChi:	InChI=1S/C13H20N6O3/c1-6-17-8-11(14)15-5-16-12(8)19(6)13-10(21)9(20)7(22-13)4-18(2)3/h5,7,9-10,13,20-21H,4H2,1-3H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2009-04-15
Last modified:	2011-06-04
Identifier:	5'-deoxy-5'-(dimethylamino)-8-methyladenosine

SKF

SKF
Name:	1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE
Formula:	C9 H12 N2 O2 S
SMILES:	O=S(=O)(c1ccc2c(c1)CNCC2)N
InChi:	InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
Definition date:	2001-01-08
Last modified:	2011-06-04
Identifier:	1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

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