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

Systemtic Name: 8-bromanyl-N2-butyl-9-[(6-methoxypyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(6-methoxy-3-pyridyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(6-methoxy-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(6-methoxypyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[(6-methoxy-3-pyridyl)methyl]purin-2-yl]-butyl-amine Formula: C16H20BrN7O MolecularWeight: 406.2803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN7O/c1-3-4-7-19-16-22-13(18)12-14(23-16)24(15(17)21-12)9-10-5-6-11(25-2)20-8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H3,18,19,22,23)