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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O5S/c1-26-11-10-23-20(25)15-6-4-5-7-16(15)22-21(23)29-13-17(24)14-8-9-18(27-2)19(12-14)28-3/h4-9,12H,10-11,13H2,1-3H3