2-[3-[4-(3-tert-butyl-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-(3-tert-butyl-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(3-tert-butyl-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-(3-tert-butyl-5-methylphenyl)-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(3-tert-butyl-5-methylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(3-tert-butyl-5-methyl-phenyl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C22H32N4OS MolecularWeight: 400.58068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(C)(C)C

InChI

InChI=1S/C22H32N4OS/c1-17-14-18(22(2,3)4)16-19(15-17)26-11-9-25(10-12-26)8-5-13-28-21-23-7-6-20(27)24-21/h6-7,14-16H,5,8-13H2,1-4H3,(H,23,24,27)