4-[2-[methyl-[2-(3-methyl-1-oxidanyl-butan-2-yl)-7H-purin-6-yl]amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[methyl-[2-(3-methyl-1-oxidanyl-butan-2-yl)-7H-purin-6-yl]amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[[2-[1-(hydroxymethyl)-2-methyl-propyl]-7H-purin-6-yl]-methyl-amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[[2-(1-hydroxy-3-methylbutan-2-yl)-7H-purin-6-yl]-methylamino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[[2-(1-hydroxy-3-methylbutan-2-yl)-7H-purin-6-yl]-methylamino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[methyl-[2-(2-methyl-1-methylol-propyl)-7H-purin-6-yl]amino]ethyl]pyrocatechol Formula: C19H25N5O3 MolecularWeight: 371.4335

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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)NC=N2

Isomeric SMILES

CC(C)C(CO)C1=NC2=C(C(=N1)N(C)CCC3=CC(=C(C=C3)O)O)NC=N2

InChI

InChI=1S/C19H25N5O3/c1-11(2)13(9-25)17-22-18-16(20-10-21-18)19(23-17)24(3)7-6-12-4-5-14(26)15(27)8-12/h4-5,8,10-11,13,25-27H,6-7,9H2,1-3H3,(H,20,21,22,23)