1-(9-methylpurin-6-yl)piperidine-4-carboxylate

Systemtic Name: 1-(9-methylpurin-6-yl)piperidine-4-carboxylate Openeye Name: 1-(9-methylpurin-6-yl)piperidine-4-carboxylate CAS Name: 1-(9-methyl-6-purinyl)-4-piperidinecarboxylate IUPAC Name: 1-(9-methylpurin-6-yl)piperidine-4-carboxylate Traditional Name: 1-(9-methylpurin-6-yl)isonipecotate Formula: C12H14N5O2- MolecularWeight: 260.27186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=CN=C2N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CN1C=NC2=C1N=CN=C2N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C12H15N5O2/c1-16-7-15-9-10(16)13-6-14-11(9)17-4-2-8(3-5-17)12(18)19/h6-8H,2-5H2,1H3,(H,18,19)/p-1