ethyl 1-(2-chloranyl-7H-purin-6-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-chloranyl-7H-purin-6-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxylate CAS Name: 1-(2-chloro-7H-purin-6-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxylate Traditional Name: 1-(2-chloro-7H-purin-6-yl)isonipecotic acid ethyl ester Formula: C13H16ClN5O2 MolecularWeight: 309.75144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C13H16ClN5O2/c1-2-21-12(20)8-3-5-19(6-4-8)11-9-10(16-7-15-9)17-13(14)18-11/h7-8H,2-6H2,1H3,(H,15,16,17,18)