3-[[[2-[(3-methyl-1-oxidanyl-butan-2-yl)amino]-9-propan-2-yl-purin-6-yl]amino]methyl]phenol

Systemtic Name: 3-[[[2-[(3-methyl-1-oxidanyl-butan-2-yl)amino]-9-propan-2-yl-purin-6-yl]amino]methyl]phenol Openeye Name: 3-[[[2-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-9-isopropyl-purin-6-yl]amino]methyl]phenol CAS Name: 3-[[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-yl-6-purinyl]amino]methyl]phenol IUPAC Name: 3-[[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol Traditional Name: 3-[[[9-isopropyl-2-[(2-methyl-1-methylol-propyl)amino]purin-6-yl]amino]methyl]phenol Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)