4-[[methyl-[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-[[methyl-[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]-methyl-amino]methyl]benzene-1,2-diol CAS Name: 4-[[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-yl-6-purinyl]-methylamino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-ylpurin-6-yl]-methylamino]methyl]benzene-1,2-diol Traditional Name: 4-[[[9-isopropyl-2-[(2-methyl-1-methylol-propyl)amino]purin-6-yl]-methyl-amino]methyl]pyrocatechol Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC2=C(C(=N1)N(C)CC3=CC(=C(C=C3)O)O)N=CN2C(C)C

Isomeric SMILES

CC(C)C(CO)NC1=NC2=C(C(=N1)N(C)CC3=CC(=C(C=C3)O)O)N=CN2C(C)C

InChI

InChI=1S/C21H30N6O3/c1-12(2)15(10-28)23-21-24-19(18-20(25-21)27(11-22-18)13(3)4)26(5)9-14-6-7-16(29)17(30)8-14/h6-8,11-13,15,28-30H,9-10H2,1-5H3,(H,23,24,25)