ethyl 4-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H26N6O4 MolecularWeight: 366.41544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N6O4/c1-4-6-7-19(3)14-13(22(24)25)15(18-12-17-14)20-8-10-21(11-9-20)16(23)26-5-2/h12H,4-11H2,1-3H3