2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-methyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-1-methyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C24H29ClN4OS MolecularWeight: 457.03126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N=C1SCCCCCCCCC2=CC=C(C=C2)Cl)CC3=CN=CN=C3

Isomeric SMILES

CN1C=C(C(=O)N=C1SCCCCCCCCC2=CC=C(C=C2)Cl)CC3=CN=CN=C3

InChI

InChI=1S/C24H29ClN4OS/c1-29-17-21(14-20-15-26-18-27-16-20)23(30)28-24(29)31-13-7-5-3-2-4-6-8-19-9-11-22(25)12-10-19/h9-12,15-18H,2-8,13-14H2,1H3