2,6-bis(azanyl)pyrimidine-4-carboxylic acid; methyl 2,6-bis(azanyl)pyrimidine-4-carboxylate

Systemtic Name: 2,6-bis(azanyl)pyrimidine-4-carboxylic acid; methyl 2,6-bis(azanyl)pyrimidine-4-carboxylate Openeye Name: 2,6-diaminopyrimidine-4-carboxylic acid; methyl 2,6-diaminopyrimidine-4-carboxylate CAS Name: 2,6-diamino-4-pyrimidinecarboxylic acid; 2,6-diamino-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: 2,6-diaminopyrimidine-4-carboxylic acid; methyl 2,6-diaminopyrimidine-4-carboxylate Traditional Name: 2,6-diaminopyrimidine-4-carboxylic acid; 2,6-diaminopyrimidine-4-carboxylic acid methyl ester Formula: C11H14N8O4 MolecularWeight: 322.28006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC(=N1)N)N.C1=C(N=C(N=C1N)N)C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=NC(=N1)N)N.C1=C(N=C(N=C1N)N)C(=O)O

InChI

InChI=1S/C6H8N4O2.C5H6N4O2/c1-12-5(11)3-2-4(7)10-6(8)9-3;6-3-1-2(4(10)11)8-5(7)9-3/h2H,1H3,(H4,7,8,9,10);1H,(H,10,11)(H4,6,7,8,9)