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

Systemtic Name: 5-[(2-methoxypyrimidin-5-yl)methyl]-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-benzylsulfanyl-5-[(2-methoxypyrimidin-5-yl)methyl]pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-pyrimidinyl)methyl]-1-(phenylmethyl)-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 1-benzyl-2-benzylsulfanyl-5-[(2-methoxypyrimidin-5-yl)methyl]pyrimidin-4-one Traditional Name: 1-benzyl-2-(benzylthio)-5-[(2-methoxypyrimidin-5-yl)methyl]pyrimidin-4-one Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-30-23-25-13-20(14-26-23)12-21-16-28(15-18-8-4-2-5-9-18)24(27-22(21)29)31-17-19-10-6-3-7-11-19/h2-11,13-14,16H,12,15,17H2,1H3