ethyl 1-[3-(7H-purin-6-ylamino)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(7H-purin-6-ylamino)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(7H-purin-6-ylamino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(7H-purin-6-ylamino)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(7H-purin-6-ylamino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(7H-purin-6-ylamino)propanoyl]isonipecotic acid ethyl ester Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H22N6O3/c1-2-25-16(24)11-4-7-22(8-5-11)12(23)3-6-17-14-13-15(19-9-18-13)21-10-20-14/h9-11H,2-8H2,1H3,(H2,17,18,19,20,21)