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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]quinazolin-4-one Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3S/c1-28-18-9-8-14(12-16(18)22)25-20(27)15-6-2-3-7-17(15)23-21(25)29-13-19(26)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13H2,1H3