ethyl 1-[3-[(2-chloranyl-7H-purin-6-yl)amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2-chloranyl-7H-purin-6-yl)amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(2-chloro-7H-purin-6-yl)amino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(2-chloro-7H-purin-6-yl)amino]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-chloro-7H-purin-6-yl)amino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(2-chloro-7H-purin-6-yl)amino]propanoyl]isonipecotic acid ethyl ester Formula: C16H21ClN6O3 MolecularWeight: 380.82934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN6O3/c1-2-26-15(25)10-4-7-23(8-5-10)11(24)3-6-18-13-12-14(20-9-19-12)22-16(17)21-13/h9-10H,2-8H2,1H3,(H2,18,19,20,21,22)