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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(pyridin-4-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(4-pyridylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(pyridin-4-ylmethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(pyridin-4-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(4-pyridylmethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C29H30ClN5O2S MolecularWeight: 548.0988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CC3=CC=NC=C3)CC4=CN=CN=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CC3=CC=NC=C3)CC4=CN=CN=C4)Cl

InChI

InChI=1S/C29H30ClN5O2S/c30-26-9-7-24(8-10-26)27(36)6-4-2-1-3-5-15-38-29-34-28(37)25(16-23-17-32-21-33-18-23)20-35(29)19-22-11-13-31-14-12-22/h7-14,17-18,20-21H,1-6,15-16,19H2