8-bromanyl-N2-butyl-9-[(5-methylpyridin-3-yl)methyl]purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-[(5-methylpyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(5-methyl-3-pyridyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(5-methyl-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(5-methylpyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[(5-methyl-3-pyridyl)methyl]purin-2-yl]-butyl-amine Formula: C16H20BrN7 MolecularWeight: 390.2809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN7/c1-3-4-5-20-16-22-13(18)12-14(23-16)24(15(17)21-12)9-11-6-10(2)7-19-8-11/h6-8H,3-5,9H2,1-2H3,(H3,18,20,22,23)