2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2-imidazo[1,2-a]pyrimidinylmethylthio)-3-pyridinecarboxylate IUPAC Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)nicotinate Formula: C13H9N4O2S- MolecularWeight: 285.30116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CN3C=CC=NC3=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CN3C=CC=NC3=N2)C(=O)[O-]

InChI

InChI=1S/C13H10N4O2S/c18-12(19)10-3-1-4-14-11(10)20-8-9-7-17-6-2-5-15-13(17)16-9/h1-7H,8H2,(H,18,19)/p-1