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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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