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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenethyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-phenethyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[oxo(1-pyrrolidinyl)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-phenethyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C27H31N3O3S MolecularWeight: 477.61834

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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)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-27(2,3)23(31)18-34-26-28-22-17-20(24(32)29-14-7-8-15-29)11-12-21(22)25(33)30(26)16-13-19-9-5-4-6-10-19/h4-6,9-12,17H,7-8,13-16,18H2,1-3H3