6-[4-oxidanylidene-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[4-oxidanylidene-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-3-yl]hexanamide Openeye Name: 6-[4-oxo-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-3-yl]hexanamide CAS Name: 6-[4-oxo-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-3-quinazolinyl]hexanamide IUPAC Name: 6-[4-oxo-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-3-yl]hexanamide Traditional Name: 6-[4-keto-2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]quinazolin-3-yl]hexanamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

InChI

InChI=1S/C23H28N4O3S/c1-15-13-18(16(2)26(15)3)20(28)14-31-23-25-19-10-7-6-9-17(19)22(30)27(23)12-8-4-5-11-21(24)29/h6-7,9-10,13H,4-5,8,11-12,14H2,1-3H3,(H2,24,29)