1-methyl-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-methyl-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-methyl-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-methyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

Isomeric SMILES

CN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

InChI

InChI=1S/C17H16N4OS/c1-21-10-15(7-14-8-18-12-19-9-14)16(22)20-17(21)23-11-13-5-3-2-4-6-13/h2-6,8-10,12H,7,11H2,1H3