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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-(phenylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-(phenylmethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 1-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 1-benzyl-2-[8-(4-chlorophenyl)octylthio]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C30H33ClN4OS MolecularWeight: 533.12722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C30H33ClN4OS/c31-28-15-13-24(14-16-28)10-6-3-1-2-4-9-17-37-30-34-29(36)27(18-26-19-32-23-33-20-26)22-35(30)21-25-11-7-5-8-12-25/h5,7-8,11-16,19-20,22-23H,1-4,6,9-10,17-18,21H2