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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCCN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

InChI

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