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

Systemtic Name: 3-(3-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-(2-oxanylmethylthio)-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCCO4

InChI

InChI=1S/C21H22N2O3S/c1-25-16-9-6-7-15(13-16)23-20(24)18-10-2-3-11-19(18)22-21(23)27-14-17-8-4-5-12-26-17/h2-3,6-7,9-11,13,17H,4-5,8,12,14H2,1H3