N4-tert-butyl-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H23N5O2 MolecularWeight: 281.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H23N5O2/c1-9(2)6-7-14-11-10(18(19)20)12(16-8-15-11)17-13(3,4)5/h8-9H,6-7H2,1-5H3,(H2,14,15,16,17)