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

Systemtic Name: ethyl 4-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H19N7O4 MolecularWeight: 373.36656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O4/c1-2-27-16(24)22-8-6-21(7-9-22)15-13(23(25)26)14(18-11-19-15)20-12-4-3-5-17-10-12/h3-5,10-11H,2,6-9H2,1H3,(H,18,19,20)