[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=NC=CN=C2)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=NC=CN=C2)N

InChI

InChI=1S/C14H15N5O5/c1-2-5-19-11(15)10(12(21)18-14(19)23)9(20)7-24-13(22)8-6-16-3-4-17-8/h3-4,6H,2,5,7,15H2,1H3,(H,18,21,23)