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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-isobutyl-quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-isobutyl-quinazolin-4-one Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C)C(C)(C)C

InChI

InChI=1S/C25H32N2OS/c1-16(2)14-27-23(28)20-10-8-9-11-22(20)26-24(27)29-15-21-17(3)12-19(13-18(21)4)25(5,6)7/h8-13,16H,14-15H2,1-7H3