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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30ClN5O2S/c30-25-12-10-23(11-13-25)27(36)9-4-2-1-3-7-15-38-29-34-28(37)24(16-22-17-31-21-32-18-22)19-35(29)20-26-8-5-6-14-33-26/h5-6,8,10-14,17-19,21H,1-4,7,9,15-16,20H2