3-(2-methylpropyl)-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylpropyl)-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-isobutyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-methylpropyl)-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylpropyl)-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-isobutyl-2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]quinazolin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C21H25N3O2S/c1-13(2)11-24-20(26)16-8-6-7-9-18(16)22-21(24)27-12-19(25)17-10-14(3)23(5)15(17)4/h6-10,13H,11-12H2,1-5H3