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

Systemtic Name: 6-[2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]hexanamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

InChI

InChI=1S/C22H26N4O3S/c1-14-12-17(15(2)24-14)19(27)13-30-22-25-18-9-6-5-8-16(18)21(29)26(22)11-7-3-4-10-20(23)28/h5-6,8-9,12,24H,3-4,7,10-11,13H2,1-2H3,(H2,23,28)