N4-(5-chloranyl-2-methyl-phenyl)-N6-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-N6-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-N6-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-N6-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-6-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C19H18ClN5O4 MolecularWeight: 415.83032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O4/c1-11-4-5-12(20)8-14(11)23-18-17(25(26)27)19(22-10-21-18)24-15-9-13(28-2)6-7-16(15)29-3/h4-10H,1-3H3,(H2,21,22,23,24)