2-(phenylmethylsulfanyl)-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1-(9-phenylnonyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-(9-phenylnonyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C31H36N4OS MolecularWeight: 512.70874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

InChI

InChI=1S/C31H36N4OS/c36-30-29(20-28-21-32-25-33-22-28)23-35(31(34-30)37-24-27-17-11-7-12-18-27)19-13-5-3-1-2-4-8-14-26-15-9-6-10-16-26/h6-7,9-12,15-18,21-23,25H,1-5,8,13-14,19-20,24H2