diethyl 7-azanyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3,6-dicarboxylate

Systemtic Name: diethyl 7-azanyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3,6-dicarboxylate Openeye Name: diethyl 7-amino-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3,6-dicarboxylate CAS Name: 7-amino-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 7-amino-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3,6-dicarboxylate Traditional Name: 7-amino-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3,6-dicarboxylic acid diethyl ester Formula: C12H15N4O4+ MolecularWeight: 279.2719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN[N+]2=C(C(=CN=C12)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=CN[N+]2=C(C(=CN=C12)C(=O)OCC)N

InChI

InChI=1S/C12H14N4O4/c1-3-19-11(17)7-5-14-10-8(12(18)20-4-2)6-15-16(10)9(7)13/h5-6H,3-4H2,1-2H3,(H2,13,14,15,17,18)/p+1