3-[[[2-[hydroxymethyl(2-methylpropyl)amino]-9-propan-2-yl-purin-6-yl]amino]methyl]phenol

Systemtic Name: 3-[[[2-[hydroxymethyl(2-methylpropyl)amino]-9-propan-2-yl-purin-6-yl]amino]methyl]phenol Openeye Name: 3-[[[2-[hydroxymethyl(isobutyl)amino]-9-isopropyl-purin-6-yl]amino]methyl]phenol CAS Name: 3-[[[2-[hydroxymethyl(2-methylpropyl)amino]-9-propan-2-yl-6-purinyl]amino]methyl]phenol IUPAC Name: 3-[[[2-[hydroxymethyl(2-methylpropyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol Traditional Name: 3-[[[2-[isobutyl(methylol)amino]-9-isopropyl-purin-6-yl]amino]methyl]phenol Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CO)C1=NC2=C(C(=N1)NCC3=CC(=CC=C3)O)N=CN2C(C)C

Isomeric SMILES

CC(C)CN(CO)C1=NC2=C(C(=N1)NCC3=CC(=CC=C3)O)N=CN2C(C)C

InChI

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