ethyl 1-(7H-purin-6-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(7H-purin-6-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(7H-purin-6-yl)piperidine-3-carboxylate CAS Name: 1-(7H-purin-6-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7H-purin-6-yl)piperidine-3-carboxylate Traditional Name: 1-(7H-purin-6-yl)nipecotic acid ethyl ester Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=NC3=C2NC=N3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H17N5O2/c1-2-20-13(19)9-4-3-5-18(6-9)12-10-11(15-7-14-10)16-8-17-12/h7-9H,2-6H2,1H3,(H,14,15,16,17)