3-(2,2-dimethyloxan-4-yl)-2-(2-phenylsulfanylethyl)quinazolin-4-one

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-2-(2-phenylsulfanylethyl)quinazolin-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-(2-phenylsulfanylethyl)quinazolin-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-2-[2-(phenylthio)ethyl]-4-quinazolinone IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-2-(2-phenylsulfanylethyl)quinazolin-4-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-[2-(phenylthio)ethyl]quinazolin-4-one Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N2C(=NC3=CC=CC=C3C2=O)CCSC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(CCO1)N2C(=NC3=CC=CC=C3C2=O)CCSC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N2O2S/c1-23(2)16-17(12-14-27-23)25-21(13-15-28-18-8-4-3-5-9-18)24-20-11-7-6-10-19(20)22(25)26/h3-11,17H,12-16H2,1-2H3