2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C)OC

InChI

InChI=1S/C21H19N3O4S/c1-4-11-22-19(25)13-29-21-23-16-8-6-5-7-15(16)20(26)24(21)14-9-10-17(27-2)18(12-14)28-3/h1,5-10,12H,11,13H2,2-3H3,(H,22,25)