tert-butyl 4-[2,6-bis(azanyl)-5-nitroso-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,6-bis(azanyl)-5-nitroso-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,6-diamino-5-nitroso-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(2,6-diamino-5-nitroso-4-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,6-diamino-5-nitrosopyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2,6-diamino-5-nitroso-pyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C13H21N7O3 MolecularWeight: 323.35094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=NC(=N2)N)N)N=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=NC(=N2)N)N)N=O

InChI

InChI=1S/C13H21N7O3/c1-13(2,3)23-12(21)20-6-4-19(5-7-20)10-8(18-22)9(14)16-11(15)17-10/h4-7H2,1-3H3,(H4,14,15,16,17)