6-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 6-[2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]-2-benzylsulfanyl-pyrimidin-4-olate CAS Name: 6-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 6-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-2-benzylsulfanylpyrimidin-4-olate Traditional Name: 6-[2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]-2-(benzylthio)pyrimidin-4-olate Formula: C22H21N4O4S- MolecularWeight: 437.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-14(27)23-16-8-9-19(30-2)18(10-16)25-20(28)11-17-12-21(29)26-22(24-17)31-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3,(H,23,27)(H,25,28)(H,24,26,29)/p-1