2-(2-azanyl-5-cyano-6-phenyl-pyrimidin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(2-azanyl-5-cyano-6-phenyl-pyrimidin-4-yl)sulfanylethanoic acid Openeye Name: 2-(2-amino-5-cyano-6-phenyl-pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[(2-amino-5-cyano-6-phenyl-4-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(2-amino-5-cyano-6-phenylpyrimidin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2-amino-5-cyano-6-phenyl-pyrimidin-4-yl)thio]acetic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)SCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)SCC(=O)O)C#N

InChI

InChI=1S/C13H10N4O2S/c14-6-9-11(8-4-2-1-3-5-8)16-13(15)17-12(9)20-7-10(18)19/h1-5H,7H2,(H,18,19)(H2,15,16,17)