3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one Traditional Name: 2-(benzylthio)-3-homoveratryl-quinazolin-4-one Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H24N2O3S/c1-29-22-13-12-18(16-23(22)30-2)14-15-27-24(28)20-10-6-7-11-21(20)26-25(27)31-17-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3