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

Systemtic Name: ethyl 4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24N8O4 MolecularWeight: 404.42366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N8O4/c1-2-29-17(26)24-10-8-23(9-11-24)16-14(25(27)28)15(20-12-21-16)19-4-3-6-22-7-5-18-13-22/h5,7,12-13H,2-4,6,8-11H2,1H3,(H,19,20,21)