2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC4=C(CCN(C4)C(=O)C5=CC=CS5)C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC4=C(CCN(C4)C(=O)C5=CC=CS5)C=C3

InChI

InChI=1S/C23H22N6O4S/c1-26-20-19(22(32)27(2)23(26)33)29(13-24-20)12-18(30)25-16-6-5-14-7-8-28(11-15(14)10-16)21(31)17-4-3-9-34-17/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,25,30)