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

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-3-[[(2R)-2-oxolanyl]methyl]-4-quinazolinone IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C[C@H]4CCCO4)C

InChI

InChI=1S/C22H24N2O2S/c1-15-10-16(2)12-17(11-15)14-27-22-23-20-8-4-3-7-19(20)21(25)24(22)13-18-6-5-9-26-18/h3-4,7-8,10-12,18H,5-6,9,13-14H2,1-2H3/t18-/m1/s1