4-[2-[[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-[[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]amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[[2-(1-hydroxy-3-methylbutan-2-yl)-9-propan-2-yl-6-purinyl]amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[[2-(1-hydroxy-3-methylbutan-2-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[[9-isopropyl-2-(2-methyl-1-methylol-propyl)purin-6-yl]amino]ethyl]pyrocatechol Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)C1=NC2=C(C(=N1)NCCC3=CC(=C(C=C3)O)O)N=CN2C(C)C

Isomeric SMILES

CC(C)C(CO)C1=NC2=C(C(=N1)NCCC3=CC(=C(C=C3)O)O)N=CN2C(C)C

InChI

InChI=1S/C21H29N5O3/c1-12(2)15(10-27)19-24-20(18-21(25-19)26(11-23-18)13(3)4)22-8-7-14-5-6-16(28)17(29)9-14/h5-6,9,11-13,15,27-29H,7-8,10H2,1-4H3,(H,22,24,25)