N4-(2,5-dimethoxyphenyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H21N5O4/c1-13-4-6-14(7-5-13)11-21-19-18(25(26)27)20(23-12-22-19)24-16-10-15(28-2)8-9-17(16)29-3/h4-10,12H,11H2,1-3H3,(H2,21,22,23,24)