tert-butyl 4-(6-azanyl-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-azanyl-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-amino-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(6-amino-5-nitro-4-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-amino-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C13H20N6O4 MolecularWeight: 324.3357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N6O4/c1-13(2,3)23-12(20)18-6-4-17(5-7-18)11-9(19(21)22)10(14)15-8-16-11/h8H,4-7H2,1-3H3,(H2,14,15,16)