7-chloranyl-2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-7-chloro-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

InChI

InChI=1S/C22H24ClN3O4S/c1-12-19(14(3)27)13(2)24-20(12)18(28)11-31-22-25-17-10-15(23)6-7-16(17)21(29)26(22)8-5-9-30-4/h6-7,10,24H,5,8-9,11H2,1-4H3