N6-(2,4-dichlorophenyl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,4-dichlorophenyl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,4-dichlorophenyl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,4-dichlorophenyl)-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C18H15Cl2N5O4 MolecularWeight: 436.2488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2N5O4/c1-28-11-4-6-15(29-2)14(8-11)24-18-16(25(26)27)17(21-9-22-18)23-13-5-3-10(19)7-12(13)20/h3-9H,1-2H3,(H2,21,22,23,24)