2-(phenylmethylsulfanyl)-1-[3-(5-phenylpentoxy)propyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-1-[3-(5-phenylpentoxy)propyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-[3-(5-phenylpentoxy)propyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1-[3-(5-phenylpentoxy)propyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-[3-(5-phenylpentoxy)propyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-[3-(5-phenylpentoxy)propyl]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOCCCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOCCCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

InChI

InChI=1S/C30H34N4O2S/c35-29-28(19-27-20-31-24-32-21-27)22-34(30(33-29)37-23-26-14-6-2-7-15-26)16-10-18-36-17-9-3-8-13-25-11-4-1-5-12-25/h1-2,4-7,11-12,14-15,20-22,24H,3,8-10,13,16-19,23H2