5-[8-(3,4-dichlorophenyl)oct-7-ynylsulfanyl]-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[8-(3,4-dichlorophenyl)oct-7-ynylsulfanyl]-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-[8-(3,4-dichlorophenyl)oct-7-ynylsulfanyl]-2-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 5-[8-(3,4-dichlorophenyl)oct-7-ynylthio]-2-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-[8-(3,4-dichlorophenyl)oct-7-ynylsulfanyl]-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 5-[8-(3,4-dichlorophenyl)oct-7-ynylthio]-2-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C24H23Cl2N3OS MolecularWeight: 472.42992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NC=C(C(=O)N2)SCCCCCCC#CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)CC2=NC=C(C(=O)N2)SCCCCCCC#CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H23Cl2N3OS/c25-20-11-10-18(14-21(20)26)8-5-3-1-2-4-6-13-31-22-17-28-23(29-24(22)30)15-19-9-7-12-27-16-19/h7,9-12,14,16-17H,1-4,6,13,15H2,(H,28,29,30)