N-aminocarbonyl-2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-aminocarbonyl-2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-carbamoyl-2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-carbamoyl-2-[[3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-carbamoyl-2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-carbamoyl-2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)CCC3=CCCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)CCC3=CCCCC3)OC

InChI

InChI=1S/C21H26N4O5S/c1-29-16-10-14-15(11-17(16)30-2)23-21(31-12-18(26)24-20(22)28)25(19(14)27)9-8-13-6-4-3-5-7-13/h6,10-11H,3-5,7-9,12H2,1-2H3,(H3,22,24,26,28)