N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amine Formula: C17H15ClN6O4 MolecularWeight: 402.7918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3)Cl)OC

InChI

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