3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[4-[4-(2-pyrimidyl)piperazino]butyl]-8-thia-3-azabicyclo[3.2.1]octane-2,4-quinone Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)N(C(=O)C1S2)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2C(=O)N(C(=O)C1S2)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H25N5O2S/c24-16-14-4-5-15(26-14)17(25)23(16)9-2-1-8-21-10-12-22(13-11-21)18-19-6-3-7-20-18/h3,6-7,14-15H,1-2,4-5,8-13H2