7-chloranyl-3-(4-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(4-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(p-tolyl)-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(4-methylphenyl)-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(4-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(p-tolyl)-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4CCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-14-5-8-16(9-6-14)24-20(25)18-10-7-15(22)12-19(18)23-21(24)27-13-17-4-2-3-11-26-17/h5-10,12,17H,2-4,11,13H2,1H3/t17-/m1/s1