2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylthio]nicotinate Formula: C15H13N4O2S- MolecularWeight: 313.35432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=CN12)CSC3=C(C=CC=N3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=NC(=CN12)CSC3=C(C=CC=N3)C(=O)[O-])C

InChI

InChI=1S/C15H14N4O2S/c1-9-6-10(2)19-7-11(18-15(19)17-9)8-22-13-12(14(20)21)4-3-5-16-13/h3-7H,8H2,1-2H3,(H,20,21)/p-1