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

Systemtic Name: 1-(phenylmethyl)-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-(phenylmethyl)-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 1-benzyl-2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 1-benzyl-2-(benzylthio)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

InChI

InChI=1S/C23H20N4OS/c28-22-21(11-20-12-24-17-25-13-20)15-27(14-18-7-3-1-4-8-18)23(26-22)29-16-19-9-5-2-6-10-19/h1-10,12-13,15,17H,11,14,16H2