3-methyl-5-[(S)-[1-methyl-6-oxidanidyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pyridin-4-yl-methyl]-6-oxidanylidene-pyrimidine-2,4-diolate

Systemtic Name: 3-methyl-5-[(S)-[1-methyl-6-oxidanidyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pyridin-4-yl-methyl]-6-oxidanylidene-pyrimidine-2,4-diolate Openeye Name: 3-methyl-5-[(S)-(1-methyl-6-oxido-2,4-dioxo-pyrimidin-5-yl)-(4-pyridyl)methyl]-6-oxo-pyrimidine-2,4-diolate CAS Name: 3-methyl-5-[(S)-(1-methyl-6-oxido-2,4-dioxo-5-pyrimidinyl)-pyridin-4-ylmethyl]-6-oxopyrimidine-2,4-diolate IUPAC Name: 3-methyl-5-[(S)-(1-methyl-6-oxido-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-6-oxopyrimidine-2,4-diolate Traditional Name: 5-[(S)-(2,4-diketo-1-methyl-6-oxido-pyrimidin-5-yl)-(4-pyridyl)methyl]-6-keto-3-methyl-pyrimidine-2,4-diolate Formula: C16H12N5O6-3 MolecularWeight: 370.29638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(C2=CC=NC=C2)C3=C(N(C(=NC3=O)[O-])C)[O-])[O-]

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)[C@H](C2=CC=NC=C2)C3=C(N(C(=NC3=O)[O-])C)[O-])[O-]

InChI

InChI=1S/C16H15N5O6/c1-20-13(24)9(11(22)18-15(20)26)8(7-3-5-17-6-4-7)10-12(23)19-16(27)21(2)14(10)25/h3-6,8,24-25H,1-2H3,(H,18,22,26)(H,19,23,27)/p-3