(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl pyrazine-2-carboxylate

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl pyrazine-2-carboxylate Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C13H14N4O5/c1-2-21-11(18)8-5-16-13(20)17-10(8)7-22-12(19)9-6-14-3-4-15-9/h3-4,6H,2,5,7H2,1H3,(H2,16,17,20)