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

Systemtic Name: N6-(2-ethylphenyl)-5-nitro-N4-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Openeye Name: N6-(2-ethylphenyl)-5-nitro-N4-(2,2,6,6-tetramethyl-4-piperidyl)pyrimidine-4,6-diamine CAS Name: N6-(2-ethylphenyl)-5-nitro-N4-(2,2,6,6-tetramethyl-4-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-ethylphenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Traditional Name: [6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-(2,2,6,6-tetramethyl-4-piperidyl)amine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CC(NC(C3)(C)C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CC(NC(C3)(C)C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O2/c1-6-14-9-7-8-10-16(14)25-19-17(27(28)29)18(22-13-23-19)24-15-11-20(2,3)26-21(4,5)12-15/h7-10,13,15,26H,6,11-12H2,1-5H3,(H2,22,23,24,25)