2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-1,3-thiazole-4-carbonitrile hydrochloride

Systemtic Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-1,3-thiazole-4-carbonitrile hydrochloride Openeye Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]thiazole-4-carbonitrile hydrochloride CAS Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-thiazolecarbonitrile hydrochloride IUPAC Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-1,3-thiazole-4-carbonitrile hydrochloride Traditional Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]thiazole-4-carbonitrile hydrochloride Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C#N)CC(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C#N)CC(C)C)CN.Cl

InChI

InChI=1S/C22H26N4O2S.ClH/c1-4-5-8-28-20-18-9-15(21-25-16(10-23)13-29-21)6-7-17(18)22(27)26(12-14(2)3)19(20)11-24;/h6-7,9,13-14H,4-5,8,11-12,24H2,1-3H3;1H