N6-butyl-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-5-nitro-4-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amine Formula: C13H16N6O2 MolecularWeight: 288.30514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=NC=C2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=NC=C2

InChI

InChI=1S/C13H16N6O2/c1-2-3-6-15-12-11(19(20)21)13(17-9-16-12)18-10-4-7-14-8-5-10/h4-5,7-9H,2-3,6H2,1H3,(H2,14,15,16,17,18)