N-(2-aminophenyl)-4-[[(2-azanyl-9-butyl-purin-6-yl)amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[(2-azanyl-9-butyl-purin-6-yl)amino]methyl]benzamide Openeye Name: 4-[[(2-amino-9-butyl-purin-6-yl)amino]methyl]-N-(2-aminophenyl)benzamide CAS Name: 4-[[(2-amino-9-butyl-6-purinyl)amino]methyl]-N-(2-aminophenyl)benzamide IUPAC Name: 4-[[(2-amino-9-butylpurin-6-yl)amino]methyl]-N-(2-aminophenyl)benzamide Traditional Name: 4-[[(2-amino-9-butyl-purin-6-yl)amino]methyl]-N-(2-aminophenyl)benzamide Formula: C23H26N8O MolecularWeight: 430.50554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)N

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)N

InChI

InChI=1S/C23H26N8O/c1-2-3-12-31-14-27-19-20(29-23(25)30-21(19)31)26-13-15-8-10-16(11-9-15)22(32)28-18-7-5-4-6-17(18)24/h4-11,14H,2-3,12-13,24H2,1H3,(H,28,32)(H3,25,26,29,30)