6-(tert-butyldiazenyl)-5-nitro-N-[4-(2-phenylhydrazinyl)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(tert-butyldiazenyl)-5-nitro-N-[4-(2-phenylhydrazinyl)phenyl]pyrimidin-4-amine Openeye Name: 6-tert-butylazo-5-nitro-N-[4-(2-phenylhydrazino)phenyl]pyrimidin-4-amine CAS Name: 6-tert-butylazo-5-nitro-N-[4-(phenylhydrazo)phenyl]-4-pyrimidinamine IUPAC Name: 6-(tert-butyldiazenyl)-5-nitro-N-[4-(2-phenylhydrazinyl)phenyl]pyrimidin-4-amine Traditional Name: (6-tert-butylazo-5-nitro-pyrimidin-4-yl)-[4-(N'-phenylhydrazino)phenyl]amine Formula: C20H22N8O2 MolecularWeight: 406.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=NC1=C(C(=NC=N1)NC2=CC=C(C=C2)NNC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N=NC1=C(C(=NC=N1)NC2=CC=C(C=C2)NNC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N8O2/c1-20(2,3)27-26-19-17(28(29)30)18(21-13-22-19)23-14-9-11-16(12-10-14)25-24-15-7-5-4-6-8-15/h4-13,24-25H,1-3H3,(H,21,22,23)