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6ZB

6ZB
Name:	N-hydroxy-L-tryptophanamide
Formula:	C11 H13 N3 O2
SMILES:	O=C(NO)C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1
Synonyms:	N-hydroxy-L-tryptophanamide
Definition date:	2016-07-28
Last modified:	2021-03-01
Release date:	2017-11-08
Identifier:	N-hydroxy-L-tryptophanamide

IIB

IIB
Name:	1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE
Formula:	C27 H28 Cl N5 O2 S
SMILES:	Clc5sc(c1onc(c1)Cn4c2c(cccc2c(C#N)c4C(=O)NC3CCN(C(C)C)CC3)C)cc5
InChi:	InChI=1S/C27H28ClN5O2S/c1-16(2)32-11-9-18(10-12-32)30-27(34)26-21(14-29)20-6-4-5-17(3)25(20)33(26)15-19-13-22(35-31-19)23-7-8-24(28)36-23/h4-8,13,16,18H,9-12,15H2,1-3H3,(H,30,34)
Synonyms:	1-[5-(5-CHLORO-THIOPHEN-2-YL)-ISOXAZOL-3-YLMETHYL]-3-CYANO-7-METHYL-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN-4-YL)-AMIDE
Definition date:	2005-04-27
Last modified:	2021-03-01
Identifier:	1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-3-cyano-7-methyl-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide

IID

IID
Name:	N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
Formula:	C25 H31 N3 O2
SMILES:	O=C(NC1CCN(C(C)C)CC1)c3cc2ccccc2n3Cc4cccc(OC)c4
InChi:	InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29)
Synonyms:	1-(3-METHOXY-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN- 4-YL)-AMIDE
Definition date:	2005-04-27
Last modified:	2021-03-01
Identifier:	1-(3-methoxybenzyl)-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide

709

709
Name:	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE
Formula:	C19 H17 N3 O2
SMILES:	O=C(c1cccc(O)c1C)Nc3c2cc(C(=[N@H])N)ccc2ccc3
InChi:	InChI=1S/C19H17N3O2/c1-11-14(5-3-7-17(11)23)19(24)22-16-6-2-4-12-8-9-13(18(20)21)10-15(12)16/h2-10,23H,1H3,(H3,20,21)(H,22,24)
Synonyms:	N-{7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}-3-HYDROXY-2-METHYLBENZAMIDE
Definition date:	2005-06-02
Last modified:	2021-03-01
Identifier:	N-(7-carbamimidoylnaphthalen-1-yl)-3-hydroxy-2-methylbenzamide

711

711
Name:	7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
Formula:	C27 H31 N6 O
SMILES:	O(c2ccc1nc([n+](c1c2)Cc4cc3cc(C(=[N@H])N)ccc3cc4)C)C5CCN(C(=[N@H])C)CC5
InChi:	InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)/p+1/b28-17-
Synonyms:	ZK-806711
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium

IJZ

IJZ
Name:	5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C5 H5 N3 O4
SMILES:	NC1=C(NC(=O)NC1=O)C(O)=O
InChi:	InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)
Synonyms:	5-aminoorotic acid
Definition date:	2010-04-15
Last modified:	2021-03-01

IKM

IKM
Name:	(4aS,5aR,6R,8aS,8bS)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1H-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid
Formula:	C12 H14 N2 O6
SMILES:	O=C(O)C3NC(=O)C2C3(OC1C=CCNC12)CC(=O)O
InChi:	InChI=1S/C12H14N2O6/c15-6(16)4-12-7(10(17)14-9(12)11(18)19)8-5(20-12)2-1-3-13-8/h1-2,5,7-9,13H,3-4H2,(H,14,17)(H,15,16)(H,18,19)/t5-,7+,8+,9-,12+/m0/s1
Synonyms:	IKM-159
Definition date:	2013-01-23
Last modified:	2021-03-01
Release date:	2013-03-20
Identifier:	(4aS,5aR,6R,8aS,8bS)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1H-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid

71V

71V
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N5 O7 P S
SMILES:	Nc1nc(S)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1
InChi:	InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1
Synonyms:	6-Thio-GMP
Definition date:	2016-08-13
Last modified:	2021-03-01
Release date:	2016-08-23
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

71X

71X
Name:	~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Formula:	C20 H23 Cl N2 O3
SMILES:	CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23
InChi:	InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m1/s1
Synonyms:	XDM207PS2T2
Definition date:	2016-08-13
Last modified:	2021-03-01
Release date:	2017-08-16
Identifier:	~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide

ILV

ILV
Name:	(2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one
Formula:	C17 H23 N3 O2
SMILES:	CC(C1N(c3c2c(CC(NC1=O)CO)cnc2ccc3)C)C
InChi:	InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
Synonyms:	Indolactam V
Definition date:	2015-03-19
Last modified:	2021-03-01
Release date:	2016-03-16
Identifier:	(2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one

IM7

IM7
Name:	(5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
Formula:	C21 H24 Cl N3 O
SMILES:	N1C63CN2C(C1=O)(CCC2)CC6C(c5c(C3)c4c(ccc(c4)Cl)n5)(C)C
InChi:	InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1
Synonyms:	isomalbrancheamide B
Definition date:	2017-07-17
Last modified:	2021-03-01
Release date:	2017-08-16
Identifier:	(5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one

IMG
Name:	1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL
Formula:	C11 H15 N5 O4
SMILES:	O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N
InChi:	InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1
Synonyms:	IMMUCILLIN-G
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

IMU

IMU
Name:	PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER
Formula:	C11 H16 N5 O7 P
SMILES:	O=P(OCC3NC(c2c1N=C(N)NC(=O)c1nc2)C(O)C3O)(O)O
InChi:	InChI=1S/C11H16N5O7P/c12-11-15-5-3(1-13-7(5)10(19)16-11)6-9(18)8(17)4(14-6)2-23-24(20,21)22/h1,4,6,8-9,13-14,17-18H,2H2,(H2,20,21,22)(H3,12,15,16,19)/t4-,6+,8-,9+/m1/s1
Synonyms:	MODIFIED QUANOSINE-5-PHOSPHATE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	[(2R,3R,4S,5S)-5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl dihydrogen phosphate

746

746
Name:	4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide
Formula:	C34 H37 N5 O4
SMILES:	O=C(c4ccc(NC3=NC(c2cccc(NC(=O)c1ccc(cc1)C(C)(C)C)c2C)=CN(C3=O)C)cc4)N5CCOCC5
InChi:	InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
Synonyms:	CGI1746
Definition date:	2010-08-24
Last modified:	2021-03-01
Identifier:	4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide

IN9

IN9
Name:	2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE
Formula:	C13 H10 F5 N5 O2 S2
SMILES:	O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2c(F)c(F)c(F)c(F)c2F
InChi:	InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1
Synonyms:	PNU-142372
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	2,3,4,5,6-pentafluoro-N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide

74W

74W
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea
Formula:	C18 H18 Cl F3 N4 O4 S
SMILES:	FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O
InChi:	InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14+/m0/s1
Synonyms:	(THIO)UREA-BETA-DEOXYTHYMIDINE DERIVATIVE
Definition date:	2012-10-24
Last modified:	2021-03-01
Release date:	2013-07-24
Identifier:	5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine

INR

INR
Name:	2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID
Formula:	C16 H10 N2 O5 S
SMILES:	O=S(=O)(O)c1cc2c(cc1)NC(=O)C/2=C4C(=O)c3ccccc3N4
InChi:	InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13-
Synonyms:	INDIRUBIN-5-SULPHONATE
Definition date:	2000-10-17
Last modified:	2021-03-01
Identifier:	(2Z)-2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid

760

760
Name:	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
Formula:	C20 H20 N2
SMILES:	n1c4c(c(c2c1cccc2)NCc3ccccc3)CCCC4
InChi:	InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)
Synonyms:	9-N-PHENYLMETHYLAMINO-TACRINE
Definition date:	1999-12-20
Last modified:	2021-03-01
Identifier:	N-benzyl-1,2,3,4-tetrahydroacridin-9-amine

IPA

IPA
Name:	ISOPROPYL ALCOHOL
Formula:	C3 H8 O
SMILES:	OC(C)C
InChi:	InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
Synonyms:	2-PROPANOL
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	propan-2-ol

76R

76R
Name:	[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese
Formula:	C36 H36 Mn N4 O8
SMILES:	OC(=O)CCC1=C(C)C=3N2=C1C=C8N7[Mn]25n4c(C=3)c(CCC(O)=O)c(C)c4C=C6N5=C(C(=C6CCC(=O)O)C)C=C7C(=C8CCC(O)=O)C
InChi:	InChI=1S/C36H38N4O8.Mn/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29
Synonyms:	Manganese-Coproporphyrin III
Definition date:	2016-09-07
Last modified:	2021-03-01
Release date:	2017-01-18
Identifier:	[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese

773

773
Name:	CETHROMYCIN
Formula:	C42 H59 N3 O10
SMILES:	O=C4C(C(OC1OC(CC(N(C)C)C1O)C)C(OCC=Cc2cc3ccccc3nc2)(C)CC(C(=O)C(C)C5NC(=O)OC5(C)C(OC(=O)C4C)CC)C)C
InChi:	InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
Synonyms:	ABT-773
Definition date:	2003-02-10
Last modified:	2021-03-01
Identifier:	(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-quinolin-3-ylprop-2-en-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside

IPY

IPY
Name:	IMIDAZOLE-PYRROLE POLYAMIDE
Formula:	C31 H42 N11 O5
SMILES:	O=C(Nc3cc(C(=O)Nc2cc(C(=O)Nc1cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C
InChi:	InChI=1S/C31H41N11O5/c1-38(2)12-7-9-32-26(43)8-10-34-28(44)23-14-20(17-40(23)4)35-29(45)24-15-21(18-41(24)5)36-30(46)25-16-22(19-42(25)6)37-31(47)27-33-11-13-39(27)3/h11,13-19H,7-10,12H2,1-6H3,(H,32,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)/p+1
Synonyms:	IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium

IPZ

IPZ
Name:	2-ISOPROPYL-3-METHOXYPYRAZINE
Formula:	C8 H12 N2 O
SMILES:	O(c1nccnc1C(C)C)C
InChi:	InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
Synonyms:	2-METHOXY-3-ISOPROPYLPYRAZINE
Definition date:	2003-09-16
Last modified:	2021-03-01
Identifier:	2-methoxy-3-(1-methylethyl)pyrazine

777

777
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid
Formula:	C12 H19 N6 O7 P
SMILES:	CCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23
InChi:	InChI=1S/C12H19N6O7P/c1-2-15-26(22,23)24-3-5-7(19)8(20)11(25-5)18-4-14-6-9(18)16-12(13)17-10(6)21/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,15,22,23)(H3,13,16,17,21)/t5-,7-,8-,11-/m1/s1
Synonyms:	D-Trp-G
Definition date:	2016-06-28
Last modified:	2021-03-01
Release date:	2017-06-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid

IQB

IQB
Name:	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE
Formula:	C20 H20 Br N3 O2 S
SMILES:	Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c2cccc3c2ccnc3
InChi:	InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
Synonyms:	H-89
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide

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