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

Systemtic Name: N6-(2-chlorophenyl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-chlorophenyl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-chlorophenyl)-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClN5O4/c1-27-11-7-8-15(28-2)14(9-11)23-18-16(24(25)26)17(20-10-21-18)22-13-6-4-3-5-12(13)19/h3-10H,1-2H3,(H2,20,21,22,23)