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

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-14-7-8-19(25-2)18(11-14)23-20(24)16-5-3-4-6-17(16)22-21(23)28-12-15-9-10-26-13-27-15/h3-8,11,15H,9-10,12-13H2,1-2H3/t15-/m1/s1