2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=N2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=N2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C13H12N6O2S/c14-9-4-10(15)19-13(18-9)22-5-11-16-7-2-1-6(12(20)21)3-8(7)17-11/h1-4H,5H2,(H,16,17)(H,20,21)(H4,14,15,18,19)