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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-methyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-methyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

Isomeric SMILES

CN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

InChI

InChI=1S/C24H27ClN4O2S/c1-29-16-20(13-18-14-26-17-27-15-18)23(31)28-24(29)32-12-6-4-2-3-5-7-22(30)19-8-10-21(25)11-9-19/h8-11,14-17H,2-7,12-13H2,1H3