2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]-4-methyl-thiazole-5-carboxylic acid Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)O)C)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)O)C)CC(C)C)CN

InChI

InChI=1S/C23H29N3O4S/c1-5-6-9-30-19-17-10-15(21-25-14(4)20(31-21)23(28)29)7-8-16(17)22(27)26(12-13(2)3)18(19)11-24/h7-8,10,13H,5-6,9,11-12,24H2,1-4H3,(H,28,29)