2-(phenylmethylsulfanyl)-1-(8-phenyloctyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(8-phenyloctyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-(8-phenyloctyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1-(8-phenyloctyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(8-phenyloctyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-(8-phenyloctyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C30H34N4OS MolecularWeight: 498.68216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

InChI

InChI=1S/C30H34N4OS/c35-29-28(19-27-20-31-24-32-21-27)22-34(30(33-29)36-23-26-16-10-6-11-17-26)18-12-4-2-1-3-7-13-25-14-8-5-9-15-25/h5-6,8-11,14-17,20-22,24H,1-4,7,12-13,18-19,23H2