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

Systemtic Name: N6-(4-ethoxyphenyl)-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-N4-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-N4-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-4-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-methyl-2-pyridyl)-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c1-3-27-14-7-5-13(6-8-14)22-17-16(24(25)26)18(21-11-20-17)23-15-9-4-12(2)10-19-15/h4-11H,3H2,1-2H3,(H2,19,20,21,22,23)