5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-(pyridin-3-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-(pyridin-3-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-(3-pyridylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-(3-pyridinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-(pyridin-3-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-(3-pyridylmethyl)-2-thioxo-pyrimidin-4-one Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN(C(=S)NC2=O)CC3=CN=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=S)NC2=O)CC3=CN=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-20-6-4-12(8-15(20)22)7-14-11-21(17(24)19-16(14)23)10-13-3-2-5-18-9-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,23,24)