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

Systemtic Name: ethyl 4-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(3,5-dimethylanilino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O4/c1-4-29-19(26)24-7-5-23(6-8-24)18-16(25(27)28)17(20-12-21-18)22-15-10-13(2)9-14(3)11-15/h9-12H,4-8H2,1-3H3,(H,20,21,22)