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

Systemtic Name: N6-(2,5-dimethoxyphenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2,5-dimethoxyphenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(2,5-dimethoxyphenyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C24H22N6O4 MolecularWeight: 458.46928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O4/c1-33-18-11-12-20(34-2)19(14-18)28-23-22(30(31)32)24(27-16-26-23)29(21-10-6-7-13-25-21)15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,26,27,28)