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

Systemtic Name: 2-(2-azanyl-5-phenyl-pyrimidin-4-yl)sulfanylethanoic acid Openeye Name: 2-(2-amino-5-phenyl-pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[(2-amino-5-phenyl-4-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(2-amino-5-phenylpyrimidin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2-amino-5-phenyl-pyrimidin-4-yl)thio]acetic acid Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2SCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2SCC(=O)O)N

InChI

InChI=1S/C12H11N3O2S/c13-12-14-6-9(8-4-2-1-3-5-8)11(15-12)18-7-10(16)17/h1-6H,7H2,(H,16,17)(H2,13,14,15)