2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-7-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-7-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-7-chloro-3-isobutyl-quinazolin-4-one Formula: C25H31ClN2OS MolecularWeight: 443.04444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C)C)C(C)(C)C

InChI

InChI=1S/C25H31ClN2OS/c1-15(2)13-28-23(29)20-9-8-19(26)12-22(20)27-24(28)30-14-21-16(3)10-18(11-17(21)4)25(5,6)7/h8-12,15H,13-14H2,1-7H3