9-butyl-2-chloranyl-N-[(3-methylphenyl)methyl]purin-6-amine

Systemtic Name: 9-butyl-2-chloranyl-N-[(3-methylphenyl)methyl]purin-6-amine Openeye Name: 9-butyl-2-chloro-N-(m-tolylmethyl)purin-6-amine CAS Name: 9-butyl-2-chloro-N-[(3-methylphenyl)methyl]-6-purinamine IUPAC Name: 9-butyl-2-chloro-N-[(3-methylphenyl)methyl]purin-6-amine Traditional Name: (9-butyl-2-chloro-purin-6-yl)-(3-methylbenzyl)amine Formula: C17H20ClN5 MolecularWeight: 329.8272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5/c1-3-4-8-23-11-20-14-15(21-17(18)22-16(14)23)19-10-13-7-5-6-12(2)9-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,19,21,22)