3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-homoveratryl-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)OC

InChI

InChI=1S/C20H22N2O5S/c1-24-15-6-5-12(9-16(15)25-2)7-8-22-19(23)13-10-17(26-3)18(27-4)11-14(13)21-20(22)28/h5-6,9-11H,7-8H2,1-4H3,(H,21,28)