5-[(1-methylpyrazol-4-yl)methyl]-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 5-[(1-methylpyrazol-4-yl)methyl]-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-benzylsulfanyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one CAS Name: 5-[(1-methyl-4-pyrazolyl)methyl]-1-(phenylmethyl)-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 1-benzyl-2-benzylsulfanyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Traditional Name: 1-benzyl-2-(benzylthio)-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-26-14-20(13-24-26)12-21-16-27(15-18-8-4-2-5-9-18)23(25-22(21)28)29-17-19-10-6-3-7-11-19/h2-11,13-14,16H,12,15,17H2,1H3