4-[1-[(6-azanyl-8-bromanyl-9-ethyl-purin-2-yl)amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[1-[(6-azanyl-8-bromanyl-9-ethyl-purin-2-yl)amino]ethyl]benzene-1,2-diol Openeye Name: 4-[1-[(6-amino-8-bromo-9-ethyl-purin-2-yl)amino]ethyl]benzene-1,2-diol CAS Name: 4-[1-[(6-amino-8-bromo-9-ethyl-2-purinyl)amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[1-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]benzene-1,2-diol Traditional Name: 4-[1-[(6-amino-8-bromo-9-ethyl-purin-2-yl)amino]ethyl]pyrocatechol Formula: C15H17BrN6O2 MolecularWeight: 393.23848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NC(C)C3=CC(=C(C=C3)O)O)N)N=C1Br

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NC(C)C3=CC(=C(C=C3)O)O)N)N=C1Br

InChI

InChI=1S/C15H17BrN6O2/c1-3-22-13-11(19-14(22)16)12(17)20-15(21-13)18-7(2)8-4-5-9(23)10(24)6-8/h4-7,23-24H,3H2,1-2H3,(H3,17,18,20,21)