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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoic acid CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]butanoic acid IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoic acid Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]butyric acid Formula: C8H12N4O2S MolecularWeight: 228.27148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=CC(=N1)N)N

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=CC(=N1)N)N

InChI

InChI=1S/C8H12N4O2S/c1-2-4(7(13)14)15-8-11-5(9)3-6(10)12-8/h3-4H,2H2,1H3,(H,13,14)(H4,9,10,11,12)