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

Systemtic Name: ethyl 4-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-(6-cumidino-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O4/c1-4-30-20(27)25-11-9-24(10-12-25)19-17(26(28)29)18(21-13-22-19)23-16-7-5-15(6-8-16)14(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,22,23)