5-azanylpyridine-3-carboxylic acid; methyl carbamimidothioate

Systemtic Name: 5-azanylpyridine-3-carboxylic acid; methyl carbamimidothioate Openeye Name: 5-aminopyridine-3-carboxylic acid; 2-methylisothiourea CAS Name: 5-amino-3-pyridinecarboxylic acid; carbamimidothioic acid methyl ester IUPAC Name: 5-aminopyridine-3-carboxylic acid; methyl carbamimidothioate Traditional Name: 5-aminonicotinic acid; 2-methylisothiourea Formula: C8H12N4O2S MolecularWeight: 228.27148

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)N.C1=C(C=NC=C1N)C(=O)O

Isomeric SMILES

CSC(=N)N.C1=C(C=NC=C1N)C(=O)O

InChI

InChI=1S/C6H6N2O2.C2H6N2S/c7-5-1-4(6(9)10)2-8-3-5;1-5-2(3)4/h1-3H,7H2,(H,9,10);1H3,(H3,3,4)