2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[oxo(1-pyrrolidinyl)methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-25(2,3)21(29)16-32-24-26-20-15-17(22(30)27-13-7-8-14-27)11-12-19(20)23(31)28(24)18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16H2,1-3H3