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

Systemtic Name: ethyl 1-[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H25ClN6O3 MolecularWeight: 420.8932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN6O3/c1-2-29-18(28)13-5-9-26(10-6-13)17(27)12-3-7-25(8-4-12)16-14-15(22-11-21-14)23-19(20)24-16/h11-13H,2-10H2,1H3,(H,21,22,23,24)