2-[3-[4-(3-iodanylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-(3-iodanylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(3-iodophenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-(3-iodophenyl)-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(3-iodophenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(3-iodophenyl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C17H21IN4OS MolecularWeight: 456.34431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC=CC(=O)N2)C3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN1CCCSC2=NC=CC(=O)N2)C3=CC(=CC=C3)I

InChI

InChI=1S/C17H21IN4OS/c18-14-3-1-4-15(13-14)22-10-8-21(9-11-22)7-2-12-24-17-19-6-5-16(23)20-17/h1,3-6,13H,2,7-12H2,(H,19,20,23)