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280

280
Name:	1-methyl-1H-imidazole-5-carbaldehyde
Formula:	C5 H6 N2 O
SMILES:	O=Cc1cncn1C
InChi:	InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
Definition date:	2007-10-24
Last modified:	2011-06-04
Identifier:	1-methyl-1H-imidazole-5-carbaldehyde

281

281
Name:	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
Formula:	C20 H25 N4 O6 P S2
SMILES:	O=C(O)C(c1cccc(c1)CN)CP(=O)(O)C(NS(=O)(=O)c2cccc3nsnc23)C(C)C
InChi:	InChI=1S/C20H25N4O6PS2/c1-12(2)19(24-33(29,30)17-8-4-7-16-18(17)23-32-22-16)31(27,28)11-15(20(25)26)14-6-3-5-13(9-14)10-21/h3-9,12,15,19,24H,10-11,21H2,1-2H3,(H,25,26)(H,27,28)/t15-,19+/m0/s1
Definition date:	2007-04-26
Last modified:	2011-06-04
Identifier:	(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid

282

282
Name:	3-methoxypyridine
Formula:	C6 H7 N O
SMILES:	O(c1cccnc1)C
InChi:	InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
Definition date:	2007-10-24
Last modified:	2011-06-04
Identifier:	3-methoxypyridine

HDF

HDF
Name:	8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE
Formula:	C16 H17 N3 O7
SMILES:	O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-deoxy-5-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-xylitol

283

283
Name:	(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL
Formula:	C14 H17 N O3 S2
SMILES:	O=S(=O)(c1ccc(OCC#CC)cc1)N2CCC(S)C2
InChi:	InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m0/s1
Definition date:	2007-02-09
Last modified:	2011-06-04
Identifier:	(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol

284

284
Name:	(4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine
Formula:	C6 H12 N2
SMILES:	NC1=CC(C)CCN1
InChi:	InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h4-5,8H,2-3,7H2,1H3/t5-/m0/s1
Definition date:	2007-10-24
Last modified:	2011-06-04
Identifier:	(4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine

285

285
Name:	(2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine
Formula:	C6 H13 N O
SMILES:	O1C(C)C(NC1C)C
InChi:	InChI=1S/C6H13NO/c1-4-5(2)8-6(3)7-4/h4-7H,1-3H3/t4-,5-,6-/m1/s1
Definition date:	2007-10-24
Last modified:	2011-06-04
Identifier:	(2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine

286

286
Name:	2-ethenyl-1-methylpyridinium
Formula:	C8 H10 N
SMILES:	C=Cc1[n+](cccc1)C
InChi:	InChI=1S/C8H10N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1H2,2H3/q+1
Definition date:	2007-10-24
Last modified:	2011-06-04
Identifier:	2-ethenyl-1-methylpyridinium

HDI

HDI
Name:	3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER
Formula:	C12 H13 N O4
SMILES:	O=C(OC)CC2ON=C(c1ccc(O)cc1)C2
InChi:	InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/m1/s1
Definition date:	2002-04-25
Last modified:	2011-06-04
Identifier:	methyl [(5R)-3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl]acetate

287

287
Name:	4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
Formula:	C25 H26 N6 O3
SMILES:	O=C(NOC)c1cc(c(cc1)C)Nc2ncnn3c2c(c(c3)C(=O)NC(c4ccccc4)C)C
InChi:	InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1
Definition date:	2007-10-25
Last modified:	2011-06-04
Identifier:	4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

288

288
Name:	5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-AMIDE
Formula:	C18 H24 Cl N3 O3
SMILES:	Clc1cc2c(cc1)nc(c2)C(=O)NCC(O)N(C3CCCC3)CCO
InChi:	InChI=1S/C18H24ClN3O3/c19-13-5-6-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(7-8-23)14-3-1-2-4-14/h5-6,9-10,14,17,21,23-24H,1-4,7-8,11H2,(H,20,25)/t17-/m1/s1
Definition date:	2004-10-21
Last modified:	2011-06-04
Identifier:	5-chloro-N-{(2R)-2-[cyclopentyl(2-hydroxyethyl)amino]-2-hydroxyethyl}-1H-indole-2-carboxamide

HDM

HDM
Name:	DIMETHYL PROPIONATE ESTER HEME
Formula:	C36 H36 Fe N4 O4
SMILES:	O=C(OC)CCc4c(c2C=C8C(=C(C=C)C7=Cc6c(c(c5C=C1C(=C(C=3N1[Fe](n2c4C=3)(n56)N78)CCC(=O)OC)C)C=C)C)C)C
InChi:	InChI=1S/C36H36N4O4.Fe/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27
Definition date:	2002-09-16
Last modified:	2011-06-04
Identifier:	[dimethyl 3,3'-(7,12-diethenyl-3,8,13,17-tetramethyl-22,24-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoatato(4-)]iron

HDN

HDN
Name:	METHYLHYDRAZINE
Formula:	C H4 N2
SMILES:	[N@H]=NC
InChi:	InChI=1S/CH4N2/c1-3-2/h2H,1H3/b3-2-
Definition date:	1999-08-23
Last modified:	2011-06-04
Identifier:	(Z)-methyldiazene

HDT

HDT
Name:	4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE
Formula:	C17 H14 N6 O2 S
SMILES:	O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34
InChi:	InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
Definition date:	2003-06-24
Last modified:	2011-06-04
Identifier:	4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

HDU

HDU
Name:	N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
Formula:	C14 H13 N5 O
SMILES:	O=C(Nc1nccc(n1)c2c(nc3ccccn23)C)C
InChi:	InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)
Definition date:	2003-06-24
Last modified:	2011-06-04
Identifier:	N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]acetamide

HDX

HDX
Name:	({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid
Formula:	C8 H13 N O9 P2
SMILES:	O=P(O)(O)OCCC=1C=CN(C(=O)C=1O)CP(=O)(O)O
InChi:	InChI=1S/C8H13NO9P2/c10-7-6(2-4-18-20(15,16)17)1-3-9(8(7)11)5-19(12,13)14/h1,3,10H,2,4-5H2,(H2,12,13,14)(H2,15,16,17)
Definition date:	2010-08-24
Last modified:	2011-06-04
Identifier:	({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid

HDY

HDY
Name:	1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL
Formula:	C23 H26 N6 O2
SMILES:	OC(CN(C)C)COc1ccc(cc1)Nc2nccc(n2)c3c(nc4ccccn34)C
InChi:	InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)/t18-/m0/s1
Definition date:	2003-06-24
Last modified:	2011-06-04
Identifier:	(2S)-1-(dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol

HE1

HE1
Name:	4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID
Formula:	C10 H13 O4 P S
SMILES:	O=P(O)(O)/C=C/CCSc1ccccc1O
InChi:	InChI=1S/C10H13O4PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-3,5-7,11H,4,8H2,(H2,12,13,14)/b7-3+
Definition date:	1999-07-23
Last modified:	2011-06-04
Identifier:	{(1E)-4-[(2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid

HE2

HE2
Name:	HEXAN-1-OL
Formula:	C6 H14 O
SMILES:	OCCCCCC
InChi:	InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Definition date:	2005-05-16
Last modified:	2011-06-04
Identifier:	hexan-1-ol

28P

28P
Name:	N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine
Formula:	C20 H25 N O3
SMILES:	O=C(O)CCN(C)CCCOc1ccc(cc1)Cc2ccccc2
InChi:	InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)
Definition date:	2008-12-12
Last modified:	2011-06-04
Identifier:	N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine

HED

HED
Name:	2-HYDROXYETHYL DISULFIDE
Formula:	C4 H10 O2 S2
SMILES:	OCCSSCCO
InChi:	InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,2'-disulfanediyldiethanol

290

290
Name:	6-methyl-3,9-dihydro-2H-purin-2-one
Formula:	C6 H6 N4 O
SMILES:	O=C2N=C(c1ncnc1N2)C
InChi:	InChI=1S/C6H6N4O/c1-3-4-5(8-2-7-4)10-6(11)9-3/h2H,1H3,(H2,7,8,9,10,11)
Definition date:	2007-11-12
Last modified:	2011-06-04
Identifier:	6-methyl-3,9-dihydro-2H-purin-2-one

HEF

HEF
Name:	1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE
Formula:	C14 H16 N2 O4 S
SMILES:	O=C2C(=C(Sc1ccccc1)N(C(=O)N2)COCCO)C
InChi:	InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione

HEH

HEH
Name:	HEDAMYCIN
Formula:	C41 H52 N2 O11
SMILES:	O=C2c1c(cc(c(O)c1C(=O)c4c2cc(c3C(=O)C=C(Oc34)C6(OC6C5OC5C)C)C)C7OC(C)C(O)C(C)(C7)[NH+](C)C)C8OC(C)C(O)C([NH+](C)C)C8
InChi:	InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3/p+2/t17-,18+,19+,23-,25-,26-,32-,36-,38-,39+,40+,41+/m1/s1
Definition date:	2001-07-02
Last modified:	2011-06-04
Identifier:	(2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium (non-preferred name)

294

294
Name:	N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide
Formula:	C19 H18 F3 N O6 S
SMILES:	O=S(=O)(c2ccc(Oc1ccc(cc1)C(F)(F)F)cc2)C3(C(=O)NO)CCOCC3
InChi:	InChI=1S/C19H18F3NO6S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24)
Definition date:	2007-11-14
Last modified:	2011-06-04
Identifier:	N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide

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