2-[7-(4-chloranylphenoxy)heptylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[7-(4-chloranylphenoxy)heptylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[7-(4-chlorophenoxy)heptylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[7-(4-chlorophenoxy)heptylthio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[7-(4-chlorophenoxy)heptylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[7-(4-chlorophenoxy)heptylthio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O2S/c24-20-8-10-21(11-9-20)29-13-4-2-1-3-5-14-30-23-26-17-19(22(28)27-23)15-18-7-6-12-25-16-18/h6-12,16-17H,1-5,13-15H2,(H,26,27,28)