3-(2,3-dimethylcyclohexyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,3-dimethylcyclohexyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,3-dimethylcyclohexyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,3-dimethylcyclohexyl)-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylcyclohexyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,3-dimethylcyclohexyl)-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4

InChI

InChI=1S/C22H25N3O2S/c1-14-7-5-11-19(15(14)2)25-21(27)16-8-3-4-9-17(16)24-22(25)28-13-20(26)18-10-6-12-23-18/h3-4,6,8-10,12,14-15,19,23H,5,7,11,13H2,1-2H3