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

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-(2-pyridin-3-ylethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-[2-(3-pyridyl)ethyl]-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-[2-(3-pyridinyl)ethyl]-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-(2-pyridin-3-ylethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-[2-(3-pyridyl)ethyl]-2-thioxo-pyrimidin-4-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN(C(=S)NC2=O)CCC3=CN=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=S)NC2=O)CCC3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-21-7-4-14(10-16(21)23)9-15-12-22(18(25)20-17(15)24)8-5-13-3-2-6-19-11-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,24,25)