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

Systemtic Name: ethyl 1-[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-2-26-18(25)14-5-8-24(9-6-14)17-15(19)16(22-12-23-17)21-11-13-4-3-7-20-10-13/h3-4,7,10,12,14H,2,5-6,8-9,11,19H2,1H3,(H,21,22,23)