6-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C22H22N3O5S- MolecularWeight: 440.49218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-])OC

InChI

InChI=1S/C22H23N3O5S/c1-28-17-6-4-5-14(9-17)13-31-22-24-16(12-21(27)25-22)11-20(26)23-15-7-8-18(29-2)19(10-15)30-3/h4-10,12H,11,13H2,1-3H3,(H,23,26)(H,24,25,27)/p-1