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

Systemtic Name: methyl 1-[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=NC=C3)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=NC=C3)N

InChI

InChI=1S/C16H20N6O2/c1-24-16(23)11-4-8-22(9-5-11)15-13(17)14(19-10-20-15)21-12-2-6-18-7-3-12/h2-3,6-7,10-11H,4-5,8-9,17H2,1H3,(H,18,19,20,21)