8-bromanyl-N2-butyl-9-[(2-methylphenyl)methyl]purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-[(2-methylphenyl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-(o-tolylmethyl)purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(2-methylphenyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(2-methylphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(2-methylbenzyl)purin-2-yl]-butyl-amine Formula: C17H21BrN6 MolecularWeight: 389.29284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3C)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3C)Br

InChI

InChI=1S/C17H21BrN6/c1-3-4-9-20-17-22-14(19)13-15(23-17)24(16(18)21-13)10-12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3,(H3,19,20,22,23)