tert-butyl 4-(4-chloranyl-2-ethyl-5-nitro-4H-pyrimidin-3-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-chloranyl-2-ethyl-5-nitro-4H-pyrimidin-3-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-chloro-2-ethyl-5-nitro-4H-pyrimidin-3-yl)piperazine-1-carboxylate CAS Name: 4-(4-chloro-2-ethyl-5-nitro-4H-pyrimidin-3-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chloro-2-ethyl-5-nitro-4H-pyrimidin-3-yl)piperazine-1-carboxylate Traditional Name: 4-(4-chloro-2-ethyl-5-nitro-4H-pyrimidin-3-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H24ClN5O4 MolecularWeight: 373.83516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C(N1N2CCN(CC2)C(=O)OC(C)(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC=C(C(N1N2CCN(CC2)C(=O)OC(C)(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H24ClN5O4/c1-5-12-17-10-11(21(23)24)13(16)20(12)19-8-6-18(7-9-19)14(22)25-15(2,3)4/h10,13H,5-9H2,1-4H3