3-(3-chloranyl-4-methoxy-phenyl)-2-[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[[2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[[2-keto-2-(2-ketopyrrolidino)ethyl]thio]quinazolin-4-one Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4=O)Cl

InChI

InChI=1S/C21H18ClN3O4S/c1-29-17-9-8-13(11-15(17)22)25-20(28)14-5-2-3-6-16(14)23-21(25)30-12-19(27)24-10-4-7-18(24)26/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3