6-chloranyl-N-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thiocarbamoyl]nicotinamide Formula: C12H10ClN5O2S MolecularWeight: 323.7581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NC(=S)NC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)NC(=S)NC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C12H10ClN5O2S/c1-6-4-9(19)16-11(15-6)18-12(21)17-10(20)7-2-3-8(13)14-5-7/h2-5H,1H3,(H3,15,16,17,18,19,20,21)