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

Systemtic Name: methyl 1-[3-[(2-chloranyl-7H-purin-6-yl)amino]propanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H19ClN6O3 MolecularWeight: 366.80276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN6O3/c1-25-14(24)9-3-6-22(7-4-9)10(23)2-5-17-12-11-13(19-8-18-11)21-15(16)20-12/h8-9H,2-7H2,1H3,(H2,17,18,19,20,21)