N2-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(3-chlorobenzyl)purin-2-yl]-butyl-amine Formula: C16H19ClN6 MolecularWeight: 330.81526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H19ClN6/c1-2-3-7-19-16-21-14(18)13-15(22-16)23(10-20-13)9-11-5-4-6-12(17)8-11/h4-6,8,10H,2-3,7,9H2,1H3,(H3,18,19,21,22)