7-chloranyl-3-(3-methylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 7-chloro-3-(m-tolyl)-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 7-chloro-3-(3-methylphenyl)-2-(2-oxanylmethylthio)-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 7-chloro-3-(m-tolyl)-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-14-5-4-6-16(11-14)24-20(25)18-9-8-15(22)12-19(18)23-21(24)27-13-17-7-2-3-10-26-17/h4-6,8-9,11-12,17H,2-3,7,10,13H2,1H3