methyl 1-[1-(7H-purin-6-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-(7H-purin-6-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-(7H-purin-6-yl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-(7H-purin-6-yl)-4-piperidinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(7H-purin-6-yl)piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(7H-purin-6-yl)isonipecotoyl]isonipecotic acid methyl ester Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H24N6O3/c1-27-18(26)13-4-8-24(9-5-13)17(25)12-2-6-23(7-3-12)16-14-15(20-10-19-14)21-11-22-16/h10-13H,2-9H2,1H3,(H,19,20,21,22)