N4-butyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-butyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-butyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-butyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-butyl-5-nitropyrimidine-2,4-diamine Traditional Name: (2-amino-5-nitro-pyrimidin-4-yl)-butyl-amine Formula: C8H13N5O2 MolecularWeight: 211.22112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1[N+](=O)[O-])N

Isomeric SMILES

CCCCNC1=NC(=NC=C1[N+](=O)[O-])N

InChI

InChI=1S/C8H13N5O2/c1-2-3-4-10-7-6(13(14)15)5-11-8(9)12-7/h5H,2-4H2,1H3,(H3,9,10,11,12)