2-(4-azanylidene-6,7-dimethoxy-3-phenethyl-quinazolin-2-yl)sulfanylethanamide

Systemtic Name: 2-(4-azanylidene-6,7-dimethoxy-3-phenethyl-quinazolin-2-yl)sulfanylethanamide Openeye Name: 2-(4-imino-6,7-dimethoxy-3-phenethyl-quinazolin-2-yl)sulfanylacetamide CAS Name: 2-[(4-imino-6,7-dimethoxy-3-phenethyl-2-quinazolinyl)thio]acetamide IUPAC Name: 2-(4-imino-6,7-dimethoxy-3-phenethylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-imino-6,7-dimethoxy-3-phenethyl-quinazolin-2-yl)thio]acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC(=O)N)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC(=O)N)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N4O3S/c1-26-16-10-14-15(11-17(16)27-2)23-20(28-12-18(21)25)24(19(14)22)9-8-13-6-4-3-5-7-13/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,21,25)