N-buta-1,3-dienyl-3-[6-(7H-purin-6-ylamino)hexanoylamino]benzamide

Systemtic Name: N-buta-1,3-dienyl-3-[6-(7H-purin-6-ylamino)hexanoylamino]benzamide Openeye Name: N-buta-1,3-dienyl-3-[6-(7H-purin-6-ylamino)hexanoylamino]benzamide CAS Name: N-buta-1,3-dienyl-3-[[1-oxo-6-(7H-purin-6-ylamino)hexyl]amino]benzamide IUPAC Name: N-buta-1,3-dienyl-3-[6-(7H-purin-6-ylamino)hexanoylamino]benzamide Traditional Name: N-buta-1,3-dienyl-3-[6-(7H-purin-6-ylamino)hexanoylamino]benzamide Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=CNC(=O)C1=CC(=CC=C1)NC(=O)CCCCCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

C=CC=CNC(=O)C1=CC(=CC=C1)NC(=O)CCCCCNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C22H25N7O2/c1-2-3-11-24-22(31)16-8-7-9-17(13-16)29-18(30)10-5-4-6-12-23-20-19-21(26-14-25-19)28-15-27-20/h2-3,7-9,11,13-15H,1,4-6,10,12H2,(H,24,31)(H,29,30)(H2,23,25,26,27,28)