2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetic acid Formula: C7H6N4O2S MolecularWeight: 210.21314

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)SCC(=O)O)N)C#N

Isomeric SMILES

C1=C(C(=NC(=N1)SCC(=O)O)N)C#N

InChI

InChI=1S/C7H6N4O2S/c8-1-4-2-10-7(11-6(4)9)14-3-5(12)13/h2H,3H2,(H,12,13)(H2,9,10,11)