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

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-benzyl-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-(phenylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-benzyl-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-benzyl-5-[(2-keto-1-methyl-4-pyridyl)methyl]-2-thioxo-pyrimidin-4-one Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-20-8-7-14(10-16(20)22)9-15-12-21(18(24)19-17(15)23)11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,19,23,24)