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

Systemtic Name: 3-hexyl-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-hexyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-hexyl-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-hexyl-2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]quinazolin-4-one Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C)C

InChI

InChI=1S/C23H29N3O2S/c1-5-6-7-10-13-26-22(28)18-11-8-9-12-20(18)24-23(26)29-15-21(27)19-14-16(2)25(4)17(19)3/h8-9,11-12,14H,5-7,10,13,15H2,1-4H3