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

Systemtic Name: N6-(2-ethylphenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-ethylphenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(2-ethylphenyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-ethylphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C24H22N6O2 MolecularWeight: 426.47048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O2/c1-2-19-12-6-7-13-20(19)28-23-22(30(31)32)24(27-17-26-23)29(21-14-8-9-15-25-21)16-18-10-4-3-5-11-18/h3-15,17H,2,16H2,1H3,(H,26,27,28)