5-ethoxycarbonyl-2-[3-methyl-5-oxidanidyl-4-(phenylmethyl)pyrazol-1-yl]pyrimidin-4-olate

Systemtic Name: 5-ethoxycarbonyl-2-[3-methyl-5-oxidanidyl-4-(phenylmethyl)pyrazol-1-yl]pyrimidin-4-olate Openeye Name: 2-(4-benzyl-3-methyl-5-oxido-pyrazol-1-yl)-5-ethoxycarbonyl-pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-2-[3-methyl-5-oxido-4-(phenylmethyl)-1-pyrazolyl]-4-pyrimidinolate IUPAC Name: 2-(4-benzyl-3-methyl-5-oxidopyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-olate Traditional Name: 2-(4-benzyl-3-methyl-5-oxido-pyrazol-1-yl)-5-carbethoxy-pyrimidin-4-olate Formula: C18H16N4O4-2 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1[O-])N2C(=C(C(=N2)C)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1[O-])N2C(=C(C(=N2)C)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H18N4O4/c1-3-26-17(25)14-10-19-18(20-15(14)23)22-16(24)13(11(2)21-22)9-12-7-5-4-6-8-12/h4-8,10,24H,3,9H2,1-2H3,(H,19,20,23)/p-2