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878

878
Name:	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID
Formula:	C9 H6 I N O5
SMILES:	Ic1cc(c(NC(=O)C(=O)O)cc1)C(=O)O
InChi:	InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
Synonyms:	NOVO NORDISK A/S COMPOUND
Definition date:	2000-02-02
Last modified:	2020-06-17
Identifier:	2-[(carboxycarbonyl)amino]-5-iodobenzoic acid

693

693
Name:	2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
Formula:	C24 H17 F N4 O5
SMILES:	[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3F)c4
InChi:	InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
Synonyms:	CRA_17693
Definition date:	2003-03-14
Last modified:	2020-06-17
Identifier:	(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-fluoro-6-oxidobiphenyl-3-yl)butanedioate

87X

87X
Name:	5-cyclohexylpentanoic acid
Formula:	C11 H20 O2
SMILES:	OC(=O)CCCCC1CCCCC1
InChi:	InChI=1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)
Synonyms:	Cyclohexane-valeric acid
Definition date:	2017-05-16
Last modified:	2020-06-17
Release date:	2017-12-06
Identifier:	5-cyclohexylpentanoic acid

87Y

87Y
Name:	7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL-7-[2-PHENYLETHYL]-PTERIN
Formula:	C16 H19 N5 O2
SMILES:	O=C1C=2N=C(CO)C(NC=2N=C(N1)N)(CCc3ccccc3)C
InChi:	InChI=1S/C16H19N5O2/c1-16(8-7-10-5-3-2-4-6-10)11(9-22)18-12-13(21-16)19-15(17)20-14(12)23/h2-6,22H,7-9H2,1H3,(H4,17,19,20,21,23)/t16-/m0/s1
Synonyms:	2-AMINO-6-HYDROXYMETHYL-7-METHYL-7-PHENETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE
Definition date:	2000-01-24
Last modified:	2020-06-17
Identifier:	(7S)-2-amino-6-(hydroxymethyl)-7-methyl-7-(2-phenylethyl)-7,8-dihydropteridin-4(3H)-one

885

885
Name:	1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE
Formula:	C12 H15 Cl N2 O4 S
SMILES:	O=C(O)C2N(S(=O)(=O)c1cc(c(Cl)cc1N)C)CCC2
InChi:	InChI=1S/C12H15ClN2O4S/c1-7-5-11(9(14)6-8(7)13)20(18,19)15-4-2-3-10(15)12(16)17/h5-6,10H,2-4,14H2,1H3,(H,16,17)/t10-/m0/s1
Synonyms:	1-(2-AMINO-4-CHLORO-5-METHYLPHENYLSULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID
Definition date:	2006-03-15
Last modified:	2020-06-17
Identifier:	1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-L-proline

88A

88A
Name:	8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Formula:	C23 H23 N5 O3 S
SMILES:	O=S(=O)(c1ccc(cc1)c2cccn3nc(nc23)Nc5ccc(N4CCOCC4)cc5)C
InChi:	InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)
Synonyms:	[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
Definition date:	2012-04-16
Last modified:	2020-06-17
Identifier:	8-[4-(methylsulfonyl)phenyl]-N-[4-(morpholin-4-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine

6A5

6A5
Name:	Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone
Formula:	C19 H19 Cl2 N5 O2
SMILES:	O=C(c2nc3nc(c(c(c1ccc(Cl)cc1Cl)n3c2)CN)C)N4CCOCC4
InChi:	InChI=1S/C19H19Cl2N5O2/c1-11-14(9-22)17(13-3-2-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-4-6-28-7-5-25/h2-3,8,10H,4-7,9,22H2,1H3
Synonyms:	1-[5-(2,4-dichlorophenyl)-7-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine
Definition date:	2010-06-28
Last modified:	2020-06-17
Identifier:	[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl](morpholin-4-yl)methanone

6AN

6AN
Name:	6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE
Formula:	C16 H13 N O3 S
SMILES:	O=S(=O)(O)c3ccc2cc(N=C1/C=CCC=C1)ccc2c3
InChi:	InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h2-11H,1H2,(H,18,19,20)
Synonyms:	2-ANILINONAPHTHALENE-6-SULFONIC ACID
Definition date:	2009-07-27
Last modified:	2020-06-17
Identifier:	6-(cyclohexa-2,5-dien-1-ylideneamino)naphthalene-2-sulfonic acid

6AP

6AP
Name:	9H-PURINE-2,6-DIAMINE
Formula:	C5 H6 N6
SMILES:	n1c(c2ncnc2nc1N)N
InChi:	InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
Synonyms:	2,6-DIAMINOPURINE
Definition date:	2005-10-10
Last modified:	2020-06-17
Identifier:	9H-purine-2,6-diamine

893

893
Name:	5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE
Formula:	C18 H19 N3 O4
SMILES:	O=C(c1nc(OCC)c(C#N)cc1)NCc2cc(OC)ccc2OC
InChi:	InChI=1S/C18H19N3O4/c1-4-25-18-12(10-19)5-7-15(21-18)17(22)20-11-13-9-14(23-2)6-8-16(13)24-3/h5-9H,4,11H2,1-3H3,(H,20,22)
Synonyms:	5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPICOLINAMIDE
Definition date:	2006-06-09
Last modified:	2020-06-17
Identifier:	5-cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide

6B5

6B5
Name:	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one
Formula:	C16 H12 O6
SMILES:	c3cc(C=1Oc2c(C(=O)C=1)c(cc(c2)OC)O)cc(c3O)O
InChi:	InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
Synonyms:	7,8-DIMETHYLALLOXAZINE
Definition date:	2016-03-01
Last modified:	2020-06-17
Release date:	2016-04-20
Identifier:	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

6BD

6BD
Name:	(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
Formula:	C17 H15 N O3
SMILES:	O=C(O)C(C)CON=C3/c1ccccc1c2c3cccc2
InChi:	InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
Synonyms:	(S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid
Definition date:	2009-04-06
Last modified:	2020-06-17
Identifier:	(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid

8A7

8A7
Name:	(5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione
Formula:	C24 H20 N2 O4 S2
SMILES:	c5ccc(c4oc(C)c(CCOc2ccc(c1c2ccs1)CC3SC(=O)NC3=O)n4)cc5
InChi:	InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)
Synonyms:	Edaglitazone
Definition date:	2017-01-16
Last modified:	2020-06-17
Release date:	2018-01-17
Identifier:	(5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione

8AC

8AC
Name:	8-aminooctanoic acid
Formula:	C8 H17 N O2
SMILES:	O=C(O)CCCCCCCN
InChi:	InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
Synonyms:	8-aminocaprylic acid
Definition date:	2010-04-19
Last modified:	2020-06-17
Identifier:	8-aminooctanoic acid

8AJ

8AJ
Name:	2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
Formula:	C20 H19 Cl N4
SMILES:	c4c(Cl)cc1c(n3c(cc1c2ccccc2)nnc3CCN(C)C)c4
InChi:	InChI=1S/C20H19ClN4/c1-24(2)11-10-19-22-23-20-13-16(14-6-4-3-5-7-14)17-12-15(21)8-9-18(17)25(19)20/h3-9,12-13H,10-11H2,1-2H3
Synonyms:	PF-02929366
Definition date:	2017-01-16
Last modified:	2020-06-17
Release date:	2017-05-17
Identifier:	2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine

8AO

8AO
Name:	(4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile
Formula:	C31 H27 F3 N4 O3 S
SMILES:	CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)Cc4ccccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N
InChi:	InChI=1S/C31H27F3N4O3S/c1-18(2)30(26(16-35)28(36)41-29-27(30)19(3)37-38-29)23-13-22(14-24(15-23)31(32,33)34)21-9-11-25(12-10-21)42(39,40)17-20-7-5-4-6-8-20/h4-15,18H,17,36H2,1-3H3,(H,37,38)/t30-/m0/s1
Synonyms:	(S)-6-amino-4-(4'-(benzylsulfonyl)-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3 -c]pyrazole-5-carbonitrile
Definition date:	2017-05-25
Last modified:	2020-06-17
Release date:	2017-11-29
Identifier:	(4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile

6CE

6CE
Name:	5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine
Formula:	C20 H24 N7 O6 P S
SMILES:	C3(C(C(CSP(NCCc2c1ccccc1nc2)(=O)O)OC3n4cnc5c4NC(=NC5=O)N)O)O
InChi:	InChI=1S/C20H24N7O6PS/c21-20-25-17-14(18(30)26-20)23-9-27(17)19-16(29)15(28)13(33-19)8-35-34(31,32)24-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,28-29H,5-6,8H2,(H2,24,31,32)(H3,21,25,26,30)/t13-,15-,16-,19-/m1/s1
Synonyms:	TrpGMPS
Definition date:	2016-03-10
Last modified:	2020-06-17
Release date:	2017-03-15
Identifier:	5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine

8AU

8AU
Name:	(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile
Formula:	C24 H20 Cl F3 N4 O
SMILES:	CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3Cl)C(=C(N)Oc4n[nH]c(C)c14)C#N
InChi:	InChI=1S/C24H20ClF3N4O/c1-12(2)23(18(11-29)21(30)33-22-20(23)13(3)31-32-22)15-8-14(9-16(10-15)24(26,27)28)17-6-4-5-7-19(17)25/h4-10,12H,30H2,1-3H3,(H,31,32)/t23-/m0/s1
Synonyms:	(S)-6-amino-4-(2'-chloro-5-(trifluoromethyl)-[1,1-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole -5-carbonitrile
Definition date:	2017-05-25
Last modified:	2020-06-17
Release date:	2017-11-29
Identifier:	(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile

8B3

8B3
Name:	(4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile
Formula:	C24 H20 F4 N4 O
SMILES:	CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3F)C(=C(N)Oc4n[nH]c(C)c14)C#N
InChi:	InChI=1S/C24H20F4N4O/c1-12(2)23(18(11-29)21(30)33-22-20(23)13(3)31-32-22)15-8-14(9-16(10-15)24(26,27)28)17-6-4-5-7-19(17)25/h4-10,12H,30H2,1-3H3,(H,31,32)/t23-/m0/s1
Synonyms:	(s)-6-amino-4-(2'-fluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol e-5-carbonitrile
Definition date:	2017-05-25
Last modified:	2020-06-17
Release date:	2017-11-29
Identifier:	(4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile

6CU

6CU
Name:	(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
Formula:	C21 H26 N2
SMILES:	CCC4(CCC1C(c3c(C1(C)C)nc2c3cccc2)C4[N+]#[C-])C
InChi:	InChI=1S/C21H26N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h7-10,14,17,19,23H,6,11-12H2,1-4H3/t14-,17-,19+,21+/m0/s1
Synonyms:	12-epi-fischerindole U
Definition date:	2016-03-14
Last modified:	2020-06-17
Release date:	2016-06-29
Identifier:	(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole

8BF

8BF
Name:	(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
Formula:	C31 H44 O4
SMILES:	C[CH](CCC[CH](O)c1ccc(O)cc1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4
InChi:	InChI=1S/C31H44O4/c1-20(6-4-8-28(33)24-11-13-25(32)14-12-24)26-15-16-27-23(7-5-17-31(26,27)3)10-9-22-18-29(34)21(2)30(35)19-22/h9-14,20,26-30,32-35H,2,4-8,15-19H2,1,3H3/b23-10+/t20-,26-,27+,28-,29-,30-,31-/m1/s1
Synonyms:	25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3
Definition date:	2017-06-07
Last modified:	2020-06-17
Release date:	2018-06-06
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol

8BJ

8BJ
Name:	(2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
Formula:	C9 H16 N2 O4 S
SMILES:	C2(CO)C(O)C(C1NC(/SC1O2)=N/CC)O
InChi:	InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:	Thiamet G
Definition date:	2017-01-17
Last modified:	2020-06-17
Release date:	2017-03-29
Identifier:	(2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

6D7

6D7
Name:	(R)-orteronel
Formula:	C18 H17 N3 O2
SMILES:	C3(c1cc2c(cc1)cc(C(NC)=O)cc2)(CCn4cncc34)O
InChi:	InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1
Synonyms:	6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
Definition date:	2016-03-16
Last modified:	2020-06-17
Release date:	2017-03-15
Identifier:	6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide

8BL

8BL
Name:	(5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one
Formula:	C31 H42 O4
SMILES:	C[CH](CCCC(=O)c1ccc(O)cc1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4
InChi:	InChI=1S/C31H42O4/c1-20(6-4-8-28(33)24-11-13-25(32)14-12-24)26-15-16-27-23(7-5-17-31(26,27)3)10-9-22-18-29(34)21(2)30(35)19-22/h9-14,20,26-27,29-30,32,34-35H,2,4-8,15-19H2,1,3H3/b23-10+/t20-,26-,27+,29-,30-,31-/m1/s1
Synonyms:	25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3
Definition date:	2017-06-07
Last modified:	2020-06-17
Release date:	2018-06-06
Identifier:	(5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one

8BM

8BM
Name:	4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
Formula:	C25 H35 N9 O
SMILES:	C1CC(CN1C(C)=O)Nc5nc(Nc3ccc(N2CCN(C)CC2)cc3)c4ncn(c4n5)C(C)C
InChi:	InChI=1S/C25H35N9O/c1-17(2)34-16-26-22-23(27-19-5-7-21(8-6-19)32-13-11-31(4)12-14-32)29-25(30-24(22)34)28-20-9-10-33(15-20)18(3)35/h5-8,16-17,20H,9-15H2,1-4H3,(H2,27,28,29,30)/t20-/m0/s1
Synonyms:	1-[(3S)-3-{[6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]amino}pyrrolidin-1-yl]ethan-1-one
Definition date:	2017-01-17
Last modified:	2020-06-17
Release date:	2017-03-22
Identifier:	1-[(3S)-3-{[6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]amino}pyrrolidin-1-yl]ethan-1-one

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