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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazolin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCCCO4)C

InChI

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