N6-(3-chlorophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-chlorophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chlorophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chlorophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chlorophenyl)-4-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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