3-(4-methylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(p-tolyl)-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-(2-oxanylmethylthio)-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(p-tolyl)-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCCO4

InChI

InChI=1S/C21H22N2O2S/c1-15-9-11-16(12-10-15)23-20(24)18-7-2-3-8-19(18)22-21(23)26-14-17-6-4-5-13-25-17/h2-3,7-12,17H,4-6,13-14H2,1H3