2-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)OC

InChI

InChI=1S/C22H20N4O4S/c1-29-17-9-14-16(10-18(17)30-2)23-19(25-20(14)27)11-31-22-24-15-6-4-3-5-13(15)21(28)26(22)12-7-8-12/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,25,27)