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

Systemtic Name: N6-(2-chloranylpyridin-3-yl)-N4-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-chloro-3-pyridyl)-N4-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-chloro-3-pyridinyl)-N4-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-chloropyridin-3-yl)-4-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H15ClN6O3 MolecularWeight: 386.7924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C17H15ClN6O3/c1-10-5-6-13(27-2)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)