N6-(2-chloranylpyridin-3-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-chloranylpyridin-3-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-chloro-3-pyridyl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-chloro-3-pyridinyl)-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-chloropyridin-3-yl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[6-(2,5-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)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

InChI

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