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

Systemtic Name: 4-[[[2-[(3-methyl-1-oxidanyl-butan-2-yl)amino]-9-propan-2-yl-purin-6-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[2-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-9-isopropyl-purin-6-yl]amino]methyl]benzene-1,2-diol CAS Name: 4-[[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-yl-6-purinyl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]benzene-1,2-diol Traditional Name: 4-[[[9-isopropyl-2-[(2-methyl-1-methylol-propyl)amino]purin-6-yl]amino]methyl]pyrocatechol Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC2=C(C(=N1)NCC3=CC(=C(C=C3)O)O)N=CN2C(C)C

Isomeric SMILES

CC(C)C(CO)NC1=NC2=C(C(=N1)NCC3=CC(=C(C=C3)O)O)N=CN2C(C)C

InChI

InChI=1S/C20H28N6O3/c1-11(2)14(9-27)23-20-24-18(17-19(25-20)26(10-22-17)12(3)4)21-8-13-5-6-15(28)16(29)7-13/h5-7,10-12,14,27-29H,8-9H2,1-4H3,(H2,21,23,24,25)