4-[2-[[2-(2-oxidanylpropyl)-9-propan-2-yl-purin-6-yl]amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[[2-(2-oxidanylpropyl)-9-propan-2-yl-purin-6-yl]amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[[2-(2-hydroxypropyl)-9-isopropyl-purin-6-yl]amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[[2-(2-hydroxypropyl)-9-propan-2-yl-6-purinyl]amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[[2-(2-hydroxypropyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[[2-(2-hydroxypropyl)-9-isopropyl-purin-6-yl]amino]ethyl]pyrocatechol Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC(=C(C=C3)O)O)CC(C)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC(=C(C=C3)O)O)CC(C)O

InChI

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