3-(3,4-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-(2-oxanylmethylthio)-4-quinazolinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-15-10-11-17(13-16(15)2)24-21(25)19-8-3-4-9-20(19)23-22(24)27-14-18-7-5-6-12-26-18/h3-4,8-11,13,18H,5-7,12,14H2,1-2H3