3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3-azabicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[4-[4-(2-pyrimidyl)piperazino]butyl]-3-azabicyclo[3.2.1]octane-2,4-quinone Formula: C19H27N5O2 MolecularWeight: 357.44998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2CC1C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H27N5O2/c25-17-15-4-5-16(14-15)18(26)24(17)9-2-1-8-22-10-12-23(13-11-22)19-20-6-3-7-21-19/h3,6-7,15-16H,1-2,4-5,8-14H2