4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]benzoic acid Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=CC(=N2)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=CC(=N2)N)N)C(=O)O

InChI

InChI=1S/C12H12N4O2S/c13-9-5-10(14)16-12(15-9)19-6-7-1-3-8(4-2-7)11(17)18/h1-5H,6H2,(H,17,18)(H4,13,14,15,16)