3-(3,5-dimethoxyphenyl)-7-morpholin-4-ylcarbonyl-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-7-morpholin-4-ylcarbonyl-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethoxyphenyl)-7-[4-morpholinyl(oxo)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N3O5S/c1-34-22-15-21(16-23(17-22)35-2)31-27(33)24-9-8-20(26(32)30-10-12-36-13-11-30)14-25(24)29-28(31)37-18-19-6-4-3-5-7-19/h3-9,14-17H,10-13,18H2,1-2H3