N6-(2-ethylphenyl)-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-ethylphenyl)-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-ethylphenyl)-N4-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-ethylphenyl)-N4-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-ethylphenyl)-4-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-(5-methyl-2-pyridyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O2/c1-3-13-6-4-5-7-14(13)22-17-16(24(25)26)18(21-11-20-17)23-15-9-8-12(2)10-19-15/h4-11H,3H2,1-2H3,(H2,19,20,21,22,23)