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

Systemtic Name: ethyl 1-[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-2-25-17(24)12-5-9-23(10-6-12)16-14(18)15(20-11-21-16)22-13-3-7-19-8-4-13/h3-4,7-8,11-12H,2,5-6,9-10,18H2,1H3,(H,19,20,21,22)