3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-9-thia-3-azabicyclo[3.3.1]nonane-2,4-dione

Systemtic Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-9-thia-3-azabicyclo[3.3.1]nonane-2,4-dione Openeye Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-9-thia-3-azabicyclo[3.3.1]nonane-2,4-dione CAS Name: 3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-9-thia-3-azabicyclo[3.3.1]nonane-2,4-dione IUPAC Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-9-thia-3-azabicyclo[3.3.1]nonane-2,4-dione Traditional Name: 3-[4-[4-(2-pyrimidyl)piperazino]butyl]-9-thia-3-azabicyclo[3.3.1]nonane-2,4-quinone Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)N(C(=O)C(C1)S2)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2C(=O)N(C(=O)C(C1)S2)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H27N5O2S/c25-17-15-5-3-6-16(27-15)18(26)24(17)10-2-1-9-22-11-13-23(14-12-22)19-20-7-4-8-21-19/h4,7-8,15-16H,1-3,5-6,9-14H2