ethyl 4-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(butylamino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(butylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C15H24N6O4 MolecularWeight: 352.38886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C15H24N6O4/c1-3-5-6-16-13-12(21(23)24)14(18-11-17-13)19-7-9-20(10-8-19)15(22)25-4-2/h11H,3-10H2,1-2H3,(H,16,17,18)