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

Systemtic Name: 4-[2-[methyl-[2-(3-methyl-1-oxidanyl-butan-2-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[[2-[1-(hydroxymethyl)-2-methyl-propyl]-9-isopropyl-purin-6-yl]-methyl-amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[[2-(1-hydroxy-3-methylbutan-2-yl)-9-propan-2-yl-6-purinyl]-methylamino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[[2-(1-hydroxy-3-methylbutan-2-yl)-9-propan-2-ylpurin-6-yl]-methylamino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[[9-isopropyl-2-(2-methyl-1-methylol-propyl)purin-6-yl]-methyl-amino]ethyl]pyrocatechol Formula: C22H31N5O3 MolecularWeight: 413.51324

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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=CN2C(C)C

Isomeric SMILES

CC(C)C(CO)C1=NC2=C(C(=N1)N(C)CCC3=CC(=C(C=C3)O)O)N=CN2C(C)C

InChI

InChI=1S/C22H31N5O3/c1-13(2)16(11-28)20-24-21(19-22(25-20)27(12-23-19)14(3)4)26(5)9-8-15-6-7-17(29)18(30)10-15/h6-7,10,12-14,16,28-30H,8-9,11H2,1-5H3