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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N6-(2,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N6-(2,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-N6-(2,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-6-N-(2,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethylphenyl)amine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O4/c1-12-5-7-15(13(2)9-12)23-19-18(25(26)27)20(22-11-21-19)24-16-10-14(28-3)6-8-17(16)29-4/h5-11H,1-4H3,(H2,21,22,23,24)