6-phenethyl-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-phenethyl-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-phenethyl-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one CAS Name: 6-phenethyl-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-phenethyl-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-phenethyl-5-(5-pyrimidylmethyl)-1H-pyrimidin-4-one Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)CC4=CN=CN=C4

InChI

InChI=1S/C24H22N4OS/c29-23-21(13-20-14-25-17-26-15-20)22(12-11-18-7-3-1-4-8-18)27-24(28-23)30-16-19-9-5-2-6-10-19/h1-10,14-15,17H,11-13,16H2,(H,27,28,29)