2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-methyl-butanoic acid CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-3-methylbutanoic acid IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-methylbutanoic acid Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-3-methyl-butyric acid Formula: C9H14N4O2S MolecularWeight: 242.29806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O2S/c1-4(2)7(8(14)15)16-9-12-5(10)3-6(11)13-9/h3-4,7H,1-2H3,(H,14,15)(H4,10,11,12,13)