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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(4-oxidanylcyclohexyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(4-hydroxycyclohexyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(4-hydroxycyclohexyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(4-hydroxycyclohexyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(4-hydroxycyclohexyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C29H35ClN4O3S MolecularWeight: 555.1312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4)O

Isomeric SMILES

C1CC(CCC1N2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4)O

InChI

InChI=1S/C29H35ClN4O3S/c30-24-9-7-22(8-10-24)27(36)6-4-2-1-3-5-15-38-29-33-28(37)23(16-21-17-31-20-32-18-21)19-34(29)25-11-13-26(35)14-12-25/h7-10,17-20,25-26,35H,1-6,11-16H2