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

Systemtic Name: ethyl 4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H25N7O4 MolecularWeight: 379.4142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N7O4/c1-3-27-16(24)22-10-8-21(9-11-22)15-13(23(25)26)14(17-12-18-15)20-6-4-19(2)5-7-20/h12H,3-11H2,1-2H3