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

Systemtic Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(4-keto-3-p-anisyl-quinazolin-2-yl)thio]-N-propargyl-acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C

InChI

InChI=1S/C21H19N3O3S/c1-3-12-22-19(25)14-28-21-23-18-7-5-4-6-17(18)20(26)24(21)13-15-8-10-16(27-2)11-9-15/h1,4-11H,12-14H2,2H3,(H,22,25)