methyl 1-[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-(2-chloro-7H-purin-6-yl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2-chloro-7H-purin-6-yl)-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(2-chloro-7H-purin-6-yl)piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2-chloro-7H-purin-6-yl)isonipecotoyl]isonipecotic acid methyl ester Formula: C18H23ClN6O3 MolecularWeight: 406.86662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN6O3/c1-28-17(27)12-4-8-25(9-5-12)16(26)11-2-6-24(7-3-11)15-13-14(21-10-20-13)22-18(19)23-15/h10-12H,2-9H2,1H3,(H,20,21,22,23)