4-[2-[[8-bromanyl-2-(3-methyl-1-oxidanyl-butan-2-yl)-9-propan-2-yl-purin-6-yl]-methyl-amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[[8-bromanyl-2-(3-methyl-1-oxidanyl-butan-2-yl)-9-propan-2-yl-purin-6-yl]-methyl-amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[[8-bromo-2-[1-(hydroxymethyl)-2-methyl-propyl]-9-isopropyl-purin-6-yl]-methyl-amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[[8-bromo-2-(1-hydroxy-3-methylbutan-2-yl)-9-propan-2-yl-6-purinyl]-methylamino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[[8-bromo-2-(1-hydroxy-3-methylbutan-2-yl)-9-propan-2-ylpurin-6-yl]-methylamino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[[8-bromo-9-isopropyl-2-(2-methyl-1-methylol-propyl)purin-6-yl]-methyl-amino]ethyl]pyrocatechol Formula: C22H30BrN5O3 MolecularWeight: 492.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)C1=NC2=C(C(=N1)N(C)CCC3=CC(=C(C=C3)O)O)N=C(N2C(C)C)Br

Isomeric SMILES

CC(C)C(CO)C1=NC2=C(C(=N1)N(C)CCC3=CC(=C(C=C3)O)O)N=C(N2C(C)C)Br

InChI

InChI=1S/C22H30BrN5O3/c1-12(2)15(11-29)19-25-20(18-21(26-19)28(13(3)4)22(23)24-18)27(5)9-8-14-6-7-16(30)17(31)10-14/h6-7,10,12-13,15,29-31H,8-9,11H2,1-5H3