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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)OC

InChI

InChI=1S/C21H22N2O5S/c1-27-18-9-8-14(12-19(18)28-2)17(25)13-29-21-22-16-7-4-3-6-15(16)20(26)23(21)10-5-11-24/h3-4,6-9,12,24H,5,10-11,13H2,1-2H3