6-(2-tert-butylhydrazinyl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-(2-tert-butylhydrazinyl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-(2-tert-butylhydrazino)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-(tert-butylhydrazo)-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(2-tert-butylhydrazinyl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-(N'-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O3/c1-20(2,3)25-24-19-17(26(27)28)18(21-13-22-19)23-14-9-11-16(12-10-14)29-15-7-5-4-6-8-15/h4-13,25H,1-3H3,(H2,21,22,23,24)