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

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(2,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(2,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(2,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethylphenyl)amine Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H20ClN5O4/c1-11-5-6-14(12(2)7-11)24-19-18(26(27)28)20(23-10-22-19)25-15-8-13(21)16(29-3)9-17(15)30-4/h5-10H,1-4H3,(H2,22,23,24,25)