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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(pyridin-3-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(3-pyridylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(3-pyridinylmethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(pyridin-3-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(3-pyridylmethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C29H30ClN5O2S MolecularWeight: 548.0988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

Isomeric SMILES

C1=CC(=CN=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C29H30ClN5O2S/c30-26-11-9-24(10-12-26)27(36)8-4-2-1-3-5-14-38-29-34-28(37)25(15-23-17-32-21-33-18-23)20-35(29)19-22-7-6-13-31-16-22/h6-7,9-13,16-18,20-21H,1-5,8,14-15,19H2