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

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-4-11-24-21(27)15-31-23-25-18-14-20(30-3)19(29-2)13-17(18)22(28)26(23)12-10-16-8-6-5-7-9-16/h1,8,13-14H,5-7,9-12,15H2,2-3H3,(H,24,27)