3-[(2-chlorophenyl)methyl]-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(2-chlorophenyl)methyl]-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(2-chlorophenyl)methyl]-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-[(2-chlorophenyl)methyl]-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 3-[(2-chlorophenyl)methyl]-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-chlorobenzyl)-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCO[C@H](C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN2O2S/c22-18-10-3-1-7-15(18)13-24-20(25)17-9-2-4-11-19(17)23-21(24)27-14-16-8-5-6-12-26-16/h1-4,7,9-11,16H,5-6,8,12-14H2/t16-/m1/s1