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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(o-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-homoveratryl-2-[(2-methylbenzyl)thio]quinazolin-4-one Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H26N2O3S/c1-18-8-4-5-9-20(18)17-32-26-27-22-11-7-6-10-21(22)25(29)28(26)15-14-19-12-13-23(30-2)24(16-19)31-3/h4-13,16H,14-15,17H2,1-3H3