ethyl 4-[6-[(2,5-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(2,5-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(2,5-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(2,5-dimethoxyanilino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N6O6 MolecularWeight: 432.43046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O6/c1-4-31-19(26)24-9-7-23(8-10-24)18-16(25(27)28)17(20-12-21-18)22-14-11-13(29-2)5-6-15(14)30-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)