2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(3-imidazol-1-ylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(3-imidazol-1-ylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(3-imidazol-1-ylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-[3-(1-imidazolyl)propyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(3-imidazol-1-ylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(3-imidazol-1-ylpropyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C29H33ClN6O2S MolecularWeight: 565.12932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCCN3C=CN=C3)CC4=CN=CN=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCCN3C=CN=C3)CC4=CN=CN=C4)Cl

InChI

InChI=1S/C29H33ClN6O2S/c30-26-10-8-24(9-11-26)27(37)7-4-2-1-3-5-16-39-29-34-28(38)25(17-23-18-32-21-33-19-23)20-36(29)14-6-13-35-15-12-31-22-35/h8-12,15,18-22H,1-7,13-14,16-17H2