2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-2-methyl-propanoate

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-2-methyl-propanoate Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-methyl-propanoate CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-2-methylpropanoate IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-methylpropanoate Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-2-methyl-propionate Formula: C8H11N4O2S- MolecularWeight: 227.26354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])SC1=NC(=CC(=N1)N)N

Isomeric SMILES

CC(C)(C(=O)[O-])SC1=NC(=CC(=N1)N)N

InChI

InChI=1S/C8H12N4O2S/c1-8(2,6(13)14)15-7-11-4(9)3-5(10)12-7/h3H,1-2H3,(H,13,14)(H4,9,10,11,12)/p-1