1-(2-chloranyl-7H-purin-6-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)piperidine-4-carboxylic acid Openeye Name: 1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxylic acid CAS Name: 1-(2-chloro-7H-purin-6-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxylic acid Traditional Name: 1-(2-chloro-7H-purin-6-yl)isonipecotic acid Formula: C11H12ClN5O2 MolecularWeight: 281.69828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C11H12ClN5O2/c12-11-15-8-7(13-5-14-8)9(16-11)17-3-1-6(2-4-17)10(18)19/h5-6H,1-4H2,(H,18,19)(H,13,14,15,16)