7-chloranyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 7-chloro-2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21ClN2O5S/c1-27-9-8-24-20(26)15-6-5-14(22)11-16(15)23-21(24)30-12-17(25)13-4-7-18(28-2)19(10-13)29-3/h4-7,10-11H,8-9,12H2,1-3H3