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

Systemtic Name: ethyl 4-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N7O4 MolecularWeight: 387.39314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O4/c1-2-28-17(25)23-8-6-22(7-9-23)16-14(24(26)27)15(20-12-21-16)19-11-13-4-3-5-18-10-13/h3-5,10,12H,2,6-9,11H2,1H3,(H,19,20,21)