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

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

Isomeric SMILES

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

InChI

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