2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-[3-(2-ketopyrrolidino)propyl]quinazolin-4-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3CCCC3=O

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3CCCC3=O

InChI

InChI=1S/C21H27N3O3S/c1-21(2,3)17(25)14-28-20-22-16-9-5-4-8-15(16)19(27)24(20)13-7-12-23-11-6-10-18(23)26/h4-5,8-9H,6-7,10-14H2,1-3H3