6-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-(p-anisylamino)ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C22H22N3O4S- MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-28-18-8-6-15(7-9-18)13-23-20(26)11-17-12-21(27)25-22(24-17)30-14-16-4-3-5-19(10-16)29-2/h3-10,12H,11,13-14H2,1-2H3,(H,23,26)(H,24,25,27)/p-1