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

Systemtic Name: methyl 1-[2-[(2-chloranyl-7H-purin-6-yl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2-chloro-7H-purin-6-yl)amino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]isonipecotic acid methyl ester Formula: C14H17ClN6O3 MolecularWeight: 352.77618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H17ClN6O3/c1-24-13(23)8-2-4-21(5-3-8)9(22)6-16-11-10-12(18-7-17-10)20-14(15)19-11/h7-8H,2-6H2,1H3,(H2,16,17,18,19,20)