2-[9-(4-chlorophenyl)-9-oxidanylidene-nonyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[9-(4-chlorophenyl)-9-oxidanylidene-nonyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[9-(4-chlorophenyl)-9-oxo-nonyl]sulfanyl-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[[9-(4-chlorophenyl)-9-oxononyl]thio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[9-(4-chlorophenyl)-9-oxononyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[[9-(4-chlorophenyl)-9-keto-nonyl]thio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H28ClN3O2S/c26-22-12-10-20(11-13-22)23(30)9-5-3-1-2-4-6-15-32-25-28-18-21(24(31)29-25)16-19-8-7-14-27-17-19/h7-8,10-14,17-18H,1-6,9,15-16H2,(H,28,29,31)