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

Systemtic Name: 7-chloranyl-3-(2-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(o-tolyl)-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(2-methylphenyl)-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(o-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=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4CCCCO4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC[C@H]4CCCCO4

InChI

InChI=1S/C21H21ClN2O2S/c1-14-6-2-3-8-19(14)24-20(25)17-10-9-15(22)12-18(17)23-21(24)27-13-16-7-4-5-11-26-16/h2-3,6,8-10,12,16H,4-5,7,11,13H2,1H3/t16-/m1/s1