2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4,6-diamino-s-triazin-2-yl)methylthio]nicotinic acid Formula: C10H10N6O2S MolecularWeight: 278.2904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=NC(=NC(=N2)N)N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=NC(=NC(=N2)N)N)C(=O)O

InChI

InChI=1S/C10H10N6O2S/c11-9-14-6(15-10(12)16-9)4-19-7-5(8(17)18)2-1-3-13-7/h1-3H,4H2,(H,17,18)(H4,11,12,14,15,16)