N4-(5-chloranylpyridin-2-yl)-N6-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranylpyridin-2-yl)-N6-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-pyridyl)-N6-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-pyridinyl)-N6-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloropyridin-2-yl)-6-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-chloro-2-pyridyl)-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H15ClN6O4 MolecularWeight: 402.7918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15ClN6O4/c1-27-11-4-5-12(13(7-11)28-2)22-16-15(24(25)26)17(21-9-20-16)23-14-6-3-10(18)8-19-14/h3-9H,1-2H3,(H2,19,20,21,22,23)