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

Systemtic Name: 3-(2,3-dimethylcyclohexyl)-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,3-dimethylcyclohexyl)-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,3-dimethylcyclohexyl)-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylcyclohexyl)-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,3-dimethylcyclohexyl)-2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]quinazolin-4-one Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-15-9-8-12-22(17(15)3)28-24(30)19-10-6-7-11-21(19)26-25(28)31-14-23(29)20-13-16(2)27(5)18(20)4/h6-7,10-11,13,15,17,22H,8-9,12,14H2,1-5H3