N6-butyl-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(3-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=CN=CC=C2

Isomeric SMILES

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

InChI

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