2-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-(3,5-ditert-butylphenyl)-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(3,5-ditert-butylphenyl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C25H38N4OS MolecularWeight: 442.66042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N4OS/c1-24(2,3)19-16-20(25(4,5)6)18-21(17-19)29-13-11-28(12-14-29)10-7-15-31-23-26-9-8-22(30)27-23/h8-9,16-18H,7,10-15H2,1-6H3,(H,26,27,30)