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

Systemtic Name: methyl 1-[3-(7H-purin-6-ylamino)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(7H-purin-6-ylamino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(7H-purin-6-ylamino)propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(7H-purin-6-ylamino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(7H-purin-6-ylamino)propanoyl]isonipecotic acid methyl ester Formula: C15H20N6O3 MolecularWeight: 332.3577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O3/c1-24-15(23)10-3-6-21(7-4-10)11(22)2-5-16-13-12-14(18-8-17-12)20-9-19-13/h8-10H,2-7H2,1H3,(H2,16,17,18,19,20)