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

Systemtic Name: ethyl 4-[6-[(3-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(3-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(3-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(3-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(3-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H24N6O6 MolecularWeight: 444.44116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H24N6O6/c1-3-31-19(27)14-6-5-7-15(12-14)23-17-16(26(29)30)18(22-13-21-17)24-8-10-25(11-9-24)20(28)32-4-2/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,21,22,23)