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AC7

AC7
Name:	dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
Formula:	C27 H26 N2 O8
SMILES:	COC(=O)CCCC=C(c1cc(C#N)c(OC)c(c1)C(=O)OC)c2cc(C#N)c(OC)c(c2)C(=O)OC
InChi:	InChI=1S/C27H26N2O8/c1-33-23(30)9-7-6-8-20(16-10-18(14-28)24(34-2)21(12-16)26(31)36-4)17-11-19(15-29)25(35-3)22(13-17)27(32)37-5/h8,10-13H,6-7,9H2,1-5H3
Definition date:	2009-08-27
Last modified:	2012-01-05

ACS

ACS
Name:	1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE
Formula:	C13 H21 N3 O7 S2
SMILES:	O=S(CC(C(=O)O)N1C(=O)C(NC(=O)CCCC(C(=O)O)N)C1S)C
InChi:	InChI=1S/C13H21N3O7S2/c1-25(23)5-7(13(21)22)16-10(18)9(11(16)24)15-8(17)4-2-3-6(14)12(19)20/h6-7,9,11,24H,2-5,14H2,1H3,(H,15,17)(H,19,20)(H,21,22)/t6-,7+,9+,11+,25-/m0/s1
Definition date:	1999-07-08
Last modified:	2012-01-05
Identifier:	N~6~-[(3R,4R)-1-{(1S)-1-carboxy-2-[(S)-methylsulfinyl]ethyl}-2-oxo-4-sulfanylazetidin-3-yl]-6-oxo-L-lysine

AFG

AFG
Name:	N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-AMINOFLUORENE
Formula:	C23 H23 N6 O7 P
SMILES:	NC1=Nc2n(C3CC(O)C(CO[P](O)(O)=O)O3)c(Nc4ccc5c(Cc6ccccc56)c4)nc2C(=O)N1
InChi:	InChI=1S/C23H23N6O7P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(36-18)10-35-37(32,33)34)25-13-5-6-15-12(8-13)7-11-3-1-2-4-14(11)15/h1-6,8,16-18,30H,7,9-10H2,(H,25,26)(H2,32,33,34)(H3,24,27,28,31)
Definition date:	2004-09-16
Last modified:	2012-01-05
Identifier:	[(2S,3R,5S)-5-[2-amino-8-(9H-fluoren-2-ylamino)-6-oxo-1H-purin-9-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

AG4

AG4
Name:	N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
Formula:	C16 H19 N3 O4 S2
SMILES:	COCCCNC(=O)c1cc(cnc1Sc2ccccc2)[S](N)(=O)=O
InChi:	InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)
Definition date:	2008-11-11
Last modified:	2012-01-05

AHZ

AHZ
Name:	ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)-4-METHYL-THIAZOLE-2-CARBOXYLIC ACID
Formula:	C17 H19 N6 O12 P2 S
SMILES:	O=C([O-])c1nc(c(s1)CCOP([O-])(=O)OP([O-])(=O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C
InChi:	InChI=1S/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/p-3/t8-,11-,12-,16-/m1/s1
Definition date:	2003-12-09
Last modified:	2012-01-05
Identifier:	5'-O-[({[2-(2-carboxylato-4-methyl-1,3-thiazol-5-yl)ethoxy]phosphinato}oxy)phosphinato]adenosine

24U

24U
Name:	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Formula:	C17 H24 N4 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)CCC)CCC2
InChi:	InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1
Definition date:	2008-02-13
Last modified:	2012-01-05
Identifier:	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

26U

26U
Name:	N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide
Formula:	C19 H28 N4 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)CCC(C)C)CCC2
InChi:	InChI=1S/C19H28N4O2/c1-13(2)5-10-17(24)23-11-3-4-16(23)19(25)22-12-14-6-8-15(9-7-14)18(20)21/h6-9,13,16H,3-5,10-12H2,1-2H3,(H3,20,21)(H,22,25)/t16-/m0/s1
Definition date:	2008-02-20
Last modified:	2012-01-05
Identifier:	N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide

29U

29U
Name:	1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide
Formula:	C17 H25 N5 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)C(N)CC)CCC2
InChi:	InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14+/m1/s1
Definition date:	2008-01-29
Last modified:	2012-01-05
Identifier:	1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide

2AA

2AA
Name:	5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]OXY}PHOSPHINATO)OXY]PHOSPHINATO}CYT
Formula:	C23 H31 N5 O13 P2 S
SMILES:	O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCOP(=O)(O)OP(=O)(O)OCC4OC(N3C(=O)N=C(N)C=C3)C(O)C4O
InChi:	InChI=1S/C23H31N5O13P2S/c1-27(2)16-7-3-6-15-14(16)5-4-8-18(15)44(36,37)25-10-12-38-42(32,33)41-43(34,35)39-13-17-20(29)21(30)22(40-17)28-11-9-19(24)26-23(28)31/h3-9,11,17,20-22,25,29-30H,10,12-13H2,1-2H3,(H,32,33)(H,34,35)(H2,24,26,31)/t17-,20-,21-,22-/m1/s1
Definition date:	2005-09-26
Last modified:	2012-01-05
Identifier:	5'-O-[(S)-{[(R)-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

DOT

DOT
Name:	3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE
Formula:	C17 H21 N6 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3N
InChi:	InChI=1S/C17H21N6O13P3/c18-10-4-2-1-3-9(10)17(24)34-11-5-13(23-8-22-14-15(19)20-7-21-16(14)23)33-12(11)6-32-38(28,29)36-39(30,31)35-37(25,26)27/h1-4,7-8,11-13H,5-6,18H2,(H,28,29)(H,30,31)(H2,19,20,21)(H2,25,26,27)/t11-,12+,13+/m0/s1
Definition date:	2002-06-07
Last modified:	2012-01-05
Identifier:	3'-O-[(2-aminophenyl)carbonyl]-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)

DRQ

DRQ
Name:	(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Formula:	C22 H30 O2
SMILES:	Oc1cc4c(cc1C=C/CC)C3CCC2(C(CCC2O)C3CC4)C
InChi:	InChI=1S/C22H30O2/c1-3-4-5-15-12-18-14(13-20(15)23)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)24/h4-5,12-13,16-17,19,21,23-24H,3,6-11H2,1-2H3/b5-4-/t16-,17+,19-,21-,22-/m0/s1
Definition date:	2006-03-24
Last modified:	2012-01-05
Identifier:	(9beta,13alpha,17beta)-2-[(1Z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol

AV2

AV2
Name:	ADENOSINE-5'-DIPHOSPHATE-2',3'-VANADATE
Formula:	C10 H14 N5 O12 P2 V
SMILES:	O=[V]1(OC2C(OC(C2O1)COP(=O)(O)OP(=O)(O)O)n3c4ncnc(N)c4nc3)O
InChi:	InChI=1S/C10H13N5O10P2.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20
Definition date:	2002-08-05
Last modified:	2012-01-05
Identifier:	[adenosinato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium

AYD

AYD
Name:	4-{[(4'-AMINO-2'-METHYLPYRIMIDIN-5'-YL)METHYL]AMINO}PENT-3-ENYL DIPHOSPHATE
Formula:	C11 H20 N4 O7 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC/C=C(/NCc1cnc(nc1N)C)C
InChi:	InChI=1S/C11H20N4O7P2/c1-8(13-6-10-7-14-9(2)15-11(10)12)4-3-5-21-24(19,20)22-23(16,17)18/h4,7,13H,3,5-6H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)/b8-4+
Definition date:	2002-10-31
Last modified:	2012-01-05
Identifier:	(3E)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}pent-3-en-1-yl trihydrogen diphosphate

4CO

4CO
Name:	4-HYDROXYPHENACYL COENZYME A
Formula:	C29 H42 N7 O18 P3 S
SMILES:	O=C(c1ccc(O)cc1)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O
InChi:	InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-20(39)31-9-10-58-12-18(38)16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-11-19-23(53-55(43,44)45)22(40)28(52-19)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,19,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,39)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t19-,22-,23-,24+,28-/m1/s1
Definition date:	2002-05-09
Last modified:	2012-01-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-[(2-{[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)

ENA

ENA
Name:	ETHENO-NAD
Formula:	C23 H27 N7 O14 P2
SMILES:	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c6[nH]cc[n+]6cnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C23H27N7O14P2/c24-19(35)11-2-1-4-28(6-11)22-17(33)15(31)12(42-22)7-40-45(36,37)44-46(38,39)41-8-13-16(32)18(34)23(43-13)30-10-26-14-20-25-3-5-29(20)9-27-21(14)30/h1-6,9-10,12-13,15-18,22-23,31-34H,7-8H2,(H3-,24,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1
Definition date:	2001-12-06
Last modified:	2012-01-05
Identifier:	[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methyl phosphate

ENQ

ENQ
Name:	[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate
Formula:	C17 H22 N5 O14 P2
SMILES:	O[CH]1O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c5[nH]cc[n+]5cnc34)[CH](O)[CH]1O
InChi:	InChI=1S/C17H23N5O14P2/c23-10-7(3-32-37(28,29)36-38(30,31)33-4-8-11(24)13(26)17(27)35-8)34-16(12(10)25)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-27H,3-4H2,(H2,28,29,30,31)/p-1/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1
Definition date:	2009-12-17
Last modified:	2012-01-05
Identifier:	[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphate

ENX

ENX
Name:	ENACYLOXIN IIA
Formula:	C33 H45 Cl2 N O11
SMILES:	O=C(OC1CC(C(=O)O)CCC1O)C=CC=CC(=CC=CC=C(/Cl)C(C)C(O)C(O)C(=O)CC(O)C(Cl)C(OC(=O)N)/C=C/CC)C
InChi:	InChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20-,21+,23+,24-,26-,27-,29+,30-,31-/m1/s1
Definition date:	2005-06-30
Last modified:	2012-01-05
Identifier:	(1S,3R,4S)-3-{[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-(carbamoyloxy)-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxotricosa-2,4,6,8,10,20-hexaenoyl]oxy}-4-hydroxycyclohexanecarboxylic acid

EP
Name:	EPOTHILONE A
Formula:	C26 H39 N O6 S
SMILES:	O=C1C(C)C(O)C(C)CCCC3OC3CC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C
InChi:	InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1
Definition date:	2004-08-01
Last modified:	2012-01-05
Identifier:	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

EPD

EPD
Name:	EPOTHILONE D
Formula:	C27 H41 N O5 S
SMILES:	O=C1C(C)C(O)C(C)CCCC(=CCC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C)C
InChi:	InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
Definition date:	2003-07-03
Last modified:	2012-01-05
Identifier:	(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]oxacyclohexadec-13-ene-2,6-dione

F42

F42
Name:	COENZYME F420
Formula:	C29 H36 N5 O18 P
SMILES:	O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)C(OP(=O)(O)OCC(O)C(O)C(O)CN3c1c(ccc(O)c1)C=C2C3=NC(=O)NC2=O)C)CCC(=O)O
InChi:	InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,35-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
Definition date:	2001-06-20
Last modified:	2012-01-05
Identifier:	(3S,8S,11S,13R,16R,17S,18S)-13,16,17,18-tetrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecane-1,3,8-tricarboxylic acid 13-oxide (non-preferred name)

FAB

FAB
Name:	FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBUTYL KETONE
Formula:	C31 H39 N9 O16 P2
SMILES:	CC(C)C(=O)[N+]1=C2C(=O)NC(=O)N=C2N(C[CH](O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)c6cc(C)c(C)cc16
InChi:	InChI=1S/C31H39N9O16P2/c1-12(2)29(47)40-16-6-14(4)13(3)5-15(16)38(27-21(40)28(46)37-31(48)36-27)7-17(41)22(43)18(42)8-53-57(49,50)56-58(51,52)54-9-19-23(44)24(45)30(55-19)39-11-35-20-25(32)33-10-34-26(20)39/h5-6,10-12,17-19,22-24,30,41-45H,7-9H2,1-4H3,(H4-,32,33,34,37,46,48,49,50,51,52)/t17-,18+,19+,22-,23+,24+,30+/m0/s1
Definition date:	1999-07-08
Last modified:	2012-01-05
Identifier:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-[7,8-dimethyl-5-(2-methylpropanoyl)-2,4-dioxo-benzo[g]pteridin-5-ium-10-yl]-2,3,4-trihydroxy-pentyl] phosphate

P4F

P4F
Name:	5,5-difluoro-4-oxo-5-phosphono-D-norvaline
Formula:	C5 H8 F2 N O6 P
SMILES:	O=C(C(F)(F)P(=O)(O)O)CC(C(=O)O)N
InChi:	InChI=1S/C5H8F2NO6P/c6-5(7,15(12,13)14)3(9)1-2(8)4(10)11/h2H,1,8H2,(H,10,11)(H2,12,13,14)/t2-/m1/s1
Definition date:	2010-12-21
Last modified:	2011-12-30
Identifier:	5,5-difluoro-4-oxo-5-phosphono-D-norvaline

RZD

RZD
Name:	(2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate
Formula:	C20 H29 N4 O6 P
SMILES:	O=P(O)(O)OCC(NC(=O)C)CN3C(C(=O)NCCc2c1ccccc1nc2)CCC3
InChi:	InChI=1S/C20H29N4O6P/c1-14(25)23-16(13-30-31(27,28)29)12-24-10-4-7-19(24)20(26)21-9-8-15-11-22-18-6-3-2-5-17(15)18/h2-3,5-6,11,16,19,22H,4,7-10,12-13H2,1H3,(H,21,26)(H,23,25)(H2,27,28,29)/t16-,19+/m1/s1
Definition date:	2010-07-19
Last modified:	2011-12-30
Identifier:	(2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate

S47

S47
Name:	(3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)
Formula:	C28 H25 N O4
SMILES:	O=C(OC3C(OC(=O)Cc2c1ccccc1ccc2)CNC3)Cc5c4ccccc4ccc5
InChi:	InChI=1S/C28H25NO4/c30-27(15-21-11-5-9-19-7-1-3-13-23(19)21)32-25-17-29-18-26(25)33-28(31)16-22-12-6-10-20-8-2-4-14-24(20)22/h1-14,25-26,29H,15-18H2/t25-,26-/m0/s1
Definition date:	2011-01-13
Last modified:	2011-12-30
Identifier:	(3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)

SD5

SD5
Name:	5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
Formula:	C18 H21 F3 N6 O2
SMILES:	FC(F)(F)c1cc(ncc1c3nc(nc(N2CCOCC2)c3)N4CCOCC4)N
InChi:	InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
Definition date:	2011-06-14
Last modified:	2011-12-30
Identifier:	5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

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