tert-butyl 4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N6O4/c1-16(2,3)26-15(23)21-8-6-20(7-9-21)14-17-10-12(22(24)25)13(19-14)18-11-4-5-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)