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

Systemtic Name: methyl 1-[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C17H22N6O2/c1-25-17(24)13-4-7-23(8-5-13)16-14(18)15(21-11-22-16)20-10-12-3-2-6-19-9-12/h2-3,6,9,11,13H,4-5,7-8,10,18H2,1H3,(H,20,21,22)