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

Systemtic Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-1,3-thiazole-4-carbonitrile Openeye Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]thiazole-4-carbonitrile CAS Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-thiazolecarbonitrile IUPAC Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-1,3-thiazole-4-carbonitrile Traditional Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]thiazole-4-carbonitrile Formula: C22H26N4O2S MolecularWeight: 410.53244

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/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