2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(2-pyridin-4-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(2-pyridin-4-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-[2-(4-pyridyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(2-pyridin-4-ylethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(2-pyridin-4-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-[2-(4-pyridyl)ethyl]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C30H32ClN5O2S MolecularWeight: 562.12538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCC3=CC=NC=C3)CC4=CN=CN=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCC3=CC=NC=C3)CC4=CN=CN=C4)Cl

InChI

InChI=1S/C30H32ClN5O2S/c31-27-9-7-25(8-10-27)28(37)6-4-2-1-3-5-17-39-30-35-29(38)26(18-24-19-33-22-34-20-24)21-36(30)16-13-23-11-14-32-15-12-23/h7-12,14-15,19-22H,1-6,13,16-18H2