8-bromanyl-N2-butyl-9-[(3-methylphenyl)methyl]purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-[(3-methylphenyl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-(m-tolylmethyl)purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(3-methylphenyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(3-methylphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(3-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(=C3)C)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)C)Br

InChI

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