N6-(4-ethylphenyl)-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-ethylphenyl)-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-ethylphenyl)-5-nitro-N4-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4-ethylphenyl)-5-nitro-N4-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethylphenyl)-5-nitro-4-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O2/c1-2-12-3-5-13(6-4-12)21-16-15(23(24)25)17(20-11-19-16)22-14-7-9-18-10-8-14/h3-11H,2H2,1H3,(H2,18,19,20,21,22)