S-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl) pyridine-4-carbothioate

Systemtic Name: S-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl) pyridine-4-carbothioate Openeye Name: S-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl) pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl) ester IUPAC Name: S-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl) pyridine-4-carbothioate Traditional Name: pyridine-4-carbothioic acid S-(6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl) ester Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1CC(=O)NC(=N1)SC(=O)C2=CC=NC=C2

InChI

InChI=1S/C11H11N3O2S/c1-7-6-9(15)14-11(13-7)17-10(16)8-2-4-12-5-3-8/h2-5,7H,6H2,1H3,(H,13,14,15)