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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

InChI

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