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

Systemtic Name: ethyl 4-[3-(7H-purin-6-ylamino)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(7H-purin-6-ylamino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(7H-purin-6-ylamino)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(7H-purin-6-ylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(7H-purin-6-ylamino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H21N7O3 MolecularWeight: 347.37234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H21N7O3/c1-2-25-15(24)22-7-5-21(6-8-22)11(23)3-4-16-13-12-14(18-9-17-12)20-10-19-13/h9-10H,2-8H2,1H3,(H2,16,17,18,19,20)