N4-(2,5-dimethoxyphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-N4-(2,5-dimethoxyphenyl)-N2-methyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-benzyl-methyl-amine Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-])N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-])N

InChI

InChI=1S/C20H22N6O4/c1-25(12-13-7-5-4-6-8-13)20-23-18(21)17(26(27)28)19(24-20)22-15-11-14(29-2)9-10-16(15)30-3/h4-11H,12H2,1-3H3,(H3,21,22,23,24)