2-[3-methyl-5-oxidanidyl-4-(phenylmethyl)pyrazol-1-yl]-4-oxidanidyl-pyrimidine-5-carboxylate

Systemtic Name: 2-[3-methyl-5-oxidanidyl-4-(phenylmethyl)pyrazol-1-yl]-4-oxidanidyl-pyrimidine-5-carboxylate Openeye Name: 2-(4-benzyl-3-methyl-5-oxido-pyrazol-1-yl)-4-oxido-pyrimidine-5-carboxylate CAS Name: 2-[3-methyl-5-oxido-4-(phenylmethyl)-1-pyrazolyl]-4-oxido-5-pyrimidinecarboxylate IUPAC Name: 2-(4-benzyl-3-methyl-5-oxidopyrazol-1-yl)-4-oxidopyrimidine-5-carboxylate Traditional Name: 2-(4-benzyl-3-methyl-5-oxido-pyrazol-1-yl)-4-oxido-pyrimidine-5-carboxylate Formula: C16H11N4O4-3 MolecularWeight: 323.28294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CC2=CC=CC=C2)[O-])C3=NC=C(C(=N3)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1CC2=CC=CC=C2)[O-])C3=NC=C(C(=N3)[O-])C(=O)[O-]

InChI

InChI=1S/C16H14N4O4/c1-9-11(7-10-5-3-2-4-6-10)14(22)20(19-9)16-17-8-12(15(23)24)13(21)18-16/h2-6,8,22H,7H2,1H3,(H,23,24)(H,17,18,21)/p-3