6-chloranyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[(2-methoxy-5-methylphenyl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-chloro-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[(2-methoxy-5-methyl-benzyl)thio]quinazolin-4-one Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C21H23ClN2O2S/c1-13(2)11-24-20(25)17-10-16(22)6-7-18(17)23-21(24)27-12-15-9-14(3)5-8-19(15)26-4/h5-10,13H,11-12H2,1-4H3