N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(4,6-dimethoxypyrimidin-2-yl)thiocarbamoyl]nicotinamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CN=CC=C2)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CN=CC=C2)OC

InChI

InChI=1S/C13H13N5O3S/c1-20-9-6-10(21-2)16-12(15-9)18-13(22)17-11(19)8-4-3-5-14-7-8/h3-7H,1-2H3,(H2,15,16,17,18,19,22)