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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-homoveratryl-2-(4-pyridylmethylthio)quinazolin-4-one Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c1-29-21-8-7-17(15-22(21)30-2)11-14-27-23(28)19-5-3-4-6-20(19)26-24(27)31-16-18-9-12-25-13-10-18/h3-10,12-13,15H,11,14,16H2,1-2H3