2-[6-[(2,4-dinitrophenyl)amino]hexyl]-7H-purin-6-amine

Systemtic Name: 2-[6-[(2,4-dinitrophenyl)amino]hexyl]-7H-purin-6-amine Openeye Name: 2-[6-(2,4-dinitroanilino)hexyl]-7H-purin-6-amine CAS Name: 2-[6-(2,4-dinitroanilino)hexyl]-7H-purin-6-amine IUPAC Name: 2-[6-(2,4-dinitroanilino)hexyl]-7H-purin-6-amine Traditional Name: 6-(6-amino-7H-purin-2-yl)hexyl-(2,4-dinitrophenyl)amine Formula: C17H20N8O4 MolecularWeight: 400.3919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCCCC2=NC3=C(C(=N2)N)NC=N3

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCCCC2=NC3=C(C(=N2)N)NC=N3

InChI

InChI=1S/C17H20N8O4/c18-16-15-17(21-10-20-15)23-14(22-16)5-3-1-2-4-8-19-12-7-6-11(24(26)27)9-13(12)25(28)29/h6-7,9-10,19H,1-5,8H2,(H3,18,20,21,22,23)