1-[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]isonipecotic acid Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C16H20N6O2/c17-13-14(19-9-11-2-1-5-18-8-11)20-10-21-15(13)22-6-3-12(4-7-22)16(23)24/h1-2,5,8,10,12H,3-4,6-7,9,17H2,(H,23,24)(H,19,20,21)