3-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)OC

InChI

InChI=1S/C21H20N2O4S/c1-26-18-10-7-13(11-19(18)27-2)17(24)12-28-21-22-16-6-4-3-5-15(16)20(25)23(21)14-8-9-14/h3-7,10-11,14H,8-9,12H2,1-2H3