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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-phenethyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-1-phenethyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C31H35ClN4OS MolecularWeight: 547.1538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C31H35ClN4OS/c32-29-15-13-26(14-16-29)12-6-3-1-2-4-9-19-38-31-35-30(37)28(20-27-21-33-24-34-22-27)23-36(31)18-17-25-10-7-5-8-11-25/h5,7-8,10-11,13-16,21-24H,1-4,6,9,12,17-20H2