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

Systemtic Name: N-(2-aminophenyl)-4-[[(9-butyl-2-chloranyl-purin-6-yl)amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[(9-butyl-2-chloro-purin-6-yl)amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[(9-butyl-2-chloro-6-purinyl)amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[(9-butyl-2-chloropurin-6-yl)amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[(9-butyl-2-chloro-purin-6-yl)amino]methyl]benzamide Formula: C23H24ClN7O MolecularWeight: 449.93596

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN7O/c1-2-3-12-31-14-27-19-20(29-23(24)30-21(19)31)26-13-15-8-10-16(11-9-15)22(32)28-18-7-5-4-6-17(18)25/h4-11,14H,2-3,12-13,25H2,1H3,(H,28,32)(H,26,29,30)