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AX4

AX4
Name:	6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine
Formula:	C11 H12 N4 S
SMILES:	S(c1nc(nc(N)c1)N)c2ccc(cc2)C
InChi:	InChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15)
Definition date:	2007-12-20
Last modified:	2011-06-04
Identifier:	6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine

AX5

AX5
Name:	6-(benzylsulfanyl)pyrimidine-2,4-diamine
Formula:	C11 H12 N4 S
SMILES:	S(c1nc(nc(N)c1)N)Cc2ccccc2
InChi:	InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)
Definition date:	2007-12-20
Last modified:	2011-06-04
Identifier:	6-(benzylsulfanyl)pyrimidine-2,4-diamine

AX6

AX6
Name:	6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
Formula:	C12 H14 N4 O S
SMILES:	S(c1nc(nc(N)c1)N)Cc2ccc(OC)cc2
InChi:	InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)
Definition date:	2007-12-20
Last modified:	2011-06-04
Identifier:	6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine

AX8

AX8
Name:	1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
Formula:	C14 H11 Cl2 N3
SMILES:	Clc1ccc(cc1Cl)Cn2c3ccccc3nc2N
InChi:	InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
Definition date:	2007-12-20
Last modified:	2011-06-04
Identifier:	1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine

AXA

AXA
Name:	(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide
Formula:	C22 H21 N5 O5 S
SMILES:	O=C1Nc2c(OC1)ccc(c2)CNC(=O)C3=Nc4sc5c(c4C(=O)N3)C(CC(=O)N)CCC5
InChi:	InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)/t11-/m0/s1
Definition date:	2008-07-06
Last modified:	2011-06-04
Identifier:	(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide

AXB

AXB
Name:	N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide
Formula:	C24 H21 N5 O6 S2
SMILES:	O=C1C(N)=C(C1=O)N3CCc2ccc(cc2C3)CNC(=O)C5=Nc4sc6c(c4C(=O)N5)CCS(=O)(=O)C6
InChi:	InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
Definition date:	2008-07-10
Last modified:	2011-06-04
Identifier:	N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide

AXF

AXF
Name:	(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE
Formula:	C24 H42 N4 O4 S2
SMILES:	O=C(NCCCC)C(C)CC(O)C1NC(=O)C(NC(=O)C2NCCCC2SCC=CCSC1)C
InChi:	InChI=1S/C24H42N4O4S2/c1-4-5-10-26-22(30)16(2)14-19(29)18-15-33-12-6-7-13-34-20-9-8-11-25-21(20)24(32)27-17(3)23(31)28-18/h6-7,16-21,25,29H,4-5,8-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b7-6+/t16-,17+,18+,19+,20+,21-/m1/s1
Definition date:	2005-12-07
Last modified:	2011-06-04
Identifier:	(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aS,7E,12R,15S,17aS)-15-methyl-14,17-dioxo-2,3,4,4a,6,9,11,12,13,14,15,16,17,17a-tetradecahydro-1H-pyrido[2,3-i][1,11,4,7]dithiadiazacyclopentadecin-12-yl]butanamide

AXQ

AXQ
Name:	{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
Formula:	C31 H55 N5 O7 S2
SMILES:	O=C(NCCCC)C(NC(=O)C(C)CC(O)C1NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CSCC=CCSC1)C)C(C)C
InChi:	InChI=1S/C31H55N5O7S2/c1-9-10-13-32-29(41)25(19(2)3)36-26(38)20(4)16-24(37)22-17-44-14-11-12-15-45-18-23(35-30(42)43-31(6,7)8)28(40)33-21(5)27(39)34-22/h11-12,19-25,37H,9-10,13-18H2,1-8H3,(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,36,38)/b12-11+/t20-,21+,22+,23+,24+,25+/m1/s1
Definition date:	2005-12-07
Last modified:	2011-06-04
Identifier:	tert-butyl {(3R,6S,9R,13E)-3-[(1S,3R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]amino}-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate

AXX

AXX
Name:	2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
Formula:	C13 H16 N2 O2 S
SMILES:	O=C(c1c3c(sc1NC(=O)C2CC2)CCCC3)N
InChi:	InChI=1S/C13H16N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7H,1-6H2,(H2,14,16)(H,15,17)
Definition date:	2007-05-22
Last modified:	2011-06-04
Identifier:	2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

AYI

AYI
Name:	(1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester
Formula:	C22 H32 N5 O9 P
SMILES:	O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)C(C)CC
InChi:	InChI=1S/C22H32N5O9P/c1-4-10(2)18(22(32)26-13(19(24)29)9-14(23)28)27-21(31)17-15(16(17)20(30)25-3)11-5-7-12(8-6-11)36-37(33,34)35/h5-8,10,13,15-18H,4,9H2,1-3H3,(H2,23,28)(H2,24,29)(H,25,30)(H,26,32)(H,27,31)(H2,33,34,35)/t10-,13-,15-,16+,17+,18-/m0/s1
Definition date:	2009-09-28
Last modified:	2011-06-04
Identifier:	N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-isoleucyl-L-aspartamide

AYL

AYL
Name:	5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
Formula:	C19 H24 N5 O8 P
SMILES:	O=P(OCCCc1ccc(O)cc1)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C19H24N5O8P/c20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(32-19)8-31-33(28,29)30-7-1-2-11-3-5-12(25)6-4-11/h3-6,9-10,13,15-16,19,25-27H,1-2,7-8H2,(H,28,29)(H2,20,21,22)/t13-,15-,16-,19-/m1/s1
Definition date:	2010-06-28
Last modified:	2011-06-04
Identifier:	5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine

AYM

AYM
Name:	3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
Formula:	C19 H20 N4 O
SMILES:	O=C(C=Cc1ccc(nc1)N)N(C)Cc3cc2ccccc2n3C
InChi:	InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+
Definition date:	2002-06-25
Last modified:	2011-06-04
Identifier:	(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide

AYQ

AYQ
Name:	N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide
Formula:	C21 H29 N6 O10 P
SMILES:	O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCC(=O)N
InChi:	InChI=1S/C21H29N6O10P/c1-25-20(32)16-15(9-2-4-10(5-3-9)37-38(34,35)36)17(16)21(33)26-11(6-7-13(22)28)19(31)27-12(18(24)30)8-14(23)29/h2-5,11-12,15-17H,6-8H2,1H3,(H2,22,28)(H2,23,29)(H2,24,30)(H,25,32)(H,26,33)(H,27,31)(H2,34,35,36)/t11-,12-,15-,16+,17+/m0/s1
Definition date:	2009-09-28
Last modified:	2011-06-04
Identifier:	N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-glutaminyl-L-aspartamide

AYX

AYX
Name:	4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide
Formula:	C13 H12 N4 O5 S
SMILES:	O=S(=O)(N)c2ccc(NC(=O)Nc1cccc([N+]([O-])=O)c1)cc2
InChi:	InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
Definition date:	2010-05-26
Last modified:	2011-06-04
Identifier:	4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide

701

701
Name:	(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE
Formula:	C18 H24 Cl N3 O5 S2
SMILES:	Clc3sc(/C(=C/S(=O)(=O)NC2C(=O)N(C(C(=O)N1CCOCC1)C)CC2)C)cc3
InChi:	InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
Definition date:	2007-03-27
Last modified:	2011-06-04
Identifier:	(1E)-2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}prop-1-ene-1-sulfonamide

702

702
Name:	(1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid
Formula:	C23 H25 O7 P S
SMILES:	O[P](O)(=O)[CH](CCCc1cccc(Oc2ccccc2Cc3ccccc3)c1)[S](O)(=O)=O
InChi:	InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)/t23-/m1/s1
Definition date:	2010-01-29
Last modified:	2011-06-04
Identifier:	(1R)-4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid

705

705
Name:	N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:	C28 H29 F N6 O6
SMILES:	Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCC)C(O)C5O
InChi:	InChI=1S/C28H29FN6O6/c1-2-9-30-25-21-26(33-13-32-25)35(14-34-21)28-24(39)23(38)20(41-28)4-3-10-31-27(40)18-11-16(12-19(36)22(18)37)15-5-7-17(29)8-6-15/h3-8,11-14,20,23-24,28,36-39H,2,9-10H2,1H3,(H,31,40)(H,30,32,33)/b4-3+/t20-,23-,24-,28-/m1/s1
Definition date:	2009-06-22
Last modified:	2011-06-04
Identifier:	N-propyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine

706

706
Name:	N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide
Formula:	C22 H23 N5 O
SMILES:	O=C(c2cccnc2NCc1ccncc1)Nc3ccc4c(c3)NCC4(C)C
InChi:	InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
Definition date:	2008-09-16
Last modified:	2011-06-04
Identifier:	N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide

AZ5

AZ5
Name:	5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE
Formula:	C14 H14 Cl F N8
SMILES:	Fc1cnc(nc1)C(Nc3nc(Nc2cc(nn2)C)c(Cl)cn3)C
InChi:	InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
Definition date:	2010-03-26
Last modified:	2011-06-04
Identifier:	5-chloro-N~2~-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N~4~-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

708

708
Name:	3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
Formula:	C29 H26 Cl3 N O5 S
SMILES:	O=C(O)c1cccc(c1)C=Cc4ccc(OCc2c(onc2CS(O)c3c(Cl)cccc3Cl)C(C)C)cc4Cl
InChi:	InChI=1S/C29H26Cl3NO5S/c1-17(2)27-22(26(33-38-27)16-39(36)28-23(30)7-4-8-24(28)31)15-37-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17,36,39H,15-16H2,1-2H3,(H,34,35)/b10-9+
Definition date:	2009-03-17
Last modified:	2011-06-04
Identifier:	3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid

AZD

AZD
Name:	3'-AZIDO-3'-DEOXYTHYMIDINE-5'-DIPHOSPHATE
Formula:	C10 H15 N5 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2/N=[N+]=[N-]
InChi:	InChI=1S/C10H15N5O10P2/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(24-8)4-23-27(21,22)25-26(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3'-azido-3'-deoxythymidine 5'-(trihydrogen diphosphate)

AZL

AZL
Name:	1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE
Formula:	C21 H33 N5 O4
SMILES:	O=C(NNCCCCN)C2N(C(=O)C(NC(=O)OCC)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H33N5O4/c1-2-30-21(29)24-17(15-16-9-4-3-5-10-16)20(28)26-14-8-11-18(26)19(27)25-23-13-7-6-12-22/h3-5,9-10,17-18,23H,2,6-8,11-15,22H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	ethyl {(2R)-1-[(2S)-2-{[2-(4-aminobutyl)hydrazinyl]carbonyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl}carbamate (non-preferred name)

AZN

AZN
Name:	ALIZARIN RED
Formula:	C14 H8 O7 S
SMILES:	O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(O)c3O
InChi:	InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)
Definition date:	2003-01-21
Last modified:	2011-06-04
Identifier:	3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

70U

70U
Name:	5-(O-METHYLACETO)-2-THIO-2-DEOXY-URIDINE-5'-MONOPHOSPHATE
Formula:	C12 H17 N2 O10 P S
SMILES:	O=C(OC)CC=1C(=O)NC(=S)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C12H17N2O10PS/c1-22-7(15)2-5-3-14(12(26)13-10(5)18)11-9(17)8(16)6(24-11)4-23-25(19,20)21/h3,6,8-9,11,16-17H,2,4H2,1H3,(H,13,18,26)(H2,19,20,21)/t6-,8-,9-,11-/m1/s1
Definition date:	2000-08-08
Last modified:	2011-06-04
Identifier:	5-(2-methoxy-2-oxoethyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

AZT

AZT
Name:	3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE
Formula:	C10 H16 N5 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2N=[N+]=[N-]
InChi:	InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3'-azido-3'-deoxythymidine 5'-(tetrahydrogen triphosphate)

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