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

Systemtic Name: ethyl 4-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C14H22N6O4 MolecularWeight: 338.36228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N6O4/c1-4-24-14(21)19-7-5-18(6-8-19)13-11(20(22)23)12(15-9-16-13)17-10(2)3/h9-10H,4-8H2,1-3H3,(H,15,16,17)