3-(3,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]quinazolin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCOCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCOCO4)C

InChI

InChI=1S/C21H22N2O3S/c1-14-9-15(2)11-16(10-14)23-20(24)18-5-3-4-6-19(18)22-21(23)27-12-17-7-8-25-13-26-17/h3-6,9-11,17H,7-8,12-13H2,1-2H3/t17-/m1/s1