2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)-6-undecyl-1H-pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)-6-undecyl-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)-6-undecyl-1H-pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-6-undecyl-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)-6-undecyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(5-pyrimidylmethyl)-6-undecyl-1H-pyrimidin-4-one Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC3=CN=CN=C3

InChI

InChI=1S/C27H36N4OS/c1-2-3-4-5-6-7-8-9-13-16-25-24(17-23-18-28-21-29-19-23)26(32)31-27(30-25)33-20-22-14-11-10-12-15-22/h10-12,14-15,18-19,21H,2-9,13,16-17,20H2,1H3,(H,30,31,32)