2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H25N3O3S/c1-12(2)10-25-21(28)16-8-6-7-9-17(16)24-22(25)29-11-18(27)20-13(3)19(15(5)26)14(4)23-20/h6-9,12,23H,10-11H2,1-5H3