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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-ethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-ethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-ethyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-ethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-ethyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

Isomeric SMILES

CCN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

InChI

InChI=1S/C25H29ClN4O2S/c1-2-30-17-21(14-19-15-27-18-28-16-19)24(32)29-25(30)33-13-7-5-3-4-6-8-23(31)20-9-11-22(26)12-10-20/h9-12,15-18H,2-8,13-14H2,1H3