N6-butyl-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-tert-butyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-tert-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H21N5O2 MolecularWeight: 267.32744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H21N5O2/c1-5-6-7-13-10-9(17(18)19)11(15-8-14-10)16-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,14,15,16)