8-[(1S)-1-oxidanyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

Systemtic Name: 8-[(1S)-1-oxidanyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Openeye Name: 8-[(1S)-1-hydroxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione CAS Name: 8-[(1S)-1-hydroxy-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione IUPAC Name: 8-[(1S)-1-hydroxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Traditional Name: 8-[(1S)-1-hydroxy-4-[4-(2-pyrimidyl)piperazino]butyl]-8-azaspiro[4.5]decane-7,9-quinone Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC(=O)N(C(=O)C2)C(CCCN3CCN(CC3)C4=NC=CC=N4)O

Isomeric SMILES

C1CCC2(C1)CC(=O)N(C(=O)C2)[C@H](CCCN3CCN(CC3)C4=NC=CC=N4)O

InChI

InChI=1S/C21H31N5O3/c27-17(26-18(28)15-21(16-19(26)29)6-1-2-7-21)5-3-10-24-11-13-25(14-12-24)20-22-8-4-9-23-20/h4,8-9,17,27H,1-3,5-7,10-16H2/t17-/m0/s1