8-bromanyl-N2-butyl-9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purin-2-yl]-butyl-amine Formula: C17H18BrClN6O2 MolecularWeight: 453.72082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC4=C(C=C3Cl)OCO4)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC4=C(C=C3Cl)OCO4)Br

InChI

InChI=1S/C17H18BrClN6O2/c1-2-3-4-21-17-23-14(20)13-15(24-17)25(16(18)22-13)7-9-5-11-12(6-10(9)19)27-8-26-11/h5-6H,2-4,7-8H2,1H3,(H3,20,21,23,24)