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

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-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=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCCO4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCCCO4

InChI

InChI=1S/C21H21ClN2O2S/c1-14-17(22)9-6-11-19(14)24-20(25)16-8-2-3-10-18(16)23-21(24)27-13-15-7-4-5-12-26-15/h2-3,6,8-11,15H,4-5,7,12-13H2,1H3/t15-/m1/s1