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

Systemtic Name: N6-(2,5-dimethoxyphenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,5-dimethoxyphenyl)-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,5-dimethoxyphenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-5-25(15-8-6-7-14(2)11-15)21-19(26(27)28)20(22-13-23-21)24-17-12-16(29-3)9-10-18(17)30-4/h6-13H,5H2,1-4H3,(H,22,23,24)