4-[2-[[9-(1-oxidanylpropan-2-yl)-2-pyridin-3-yl-purin-6-yl]amino]ethyl]phenol

Systemtic Name: 4-[2-[[9-(1-oxidanylpropan-2-yl)-2-pyridin-3-yl-purin-6-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[9-(2-hydroxy-1-methyl-ethyl)-2-(3-pyridyl)purin-6-yl]amino]ethyl]phenol CAS Name: 4-[2-[[9-(1-hydroxypropan-2-yl)-2-(3-pyridinyl)-6-purinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[9-(1-hydroxypropan-2-yl)-2-pyridin-3-ylpurin-6-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[9-(2-hydroxy-1-methyl-ethyl)-2-(3-pyridyl)purin-6-yl]amino]ethyl]phenol Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=CN=CC=C4

Isomeric SMILES

CC(CO)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=CN=CC=C4

InChI

InChI=1S/C21H22N6O2/c1-14(12-28)27-13-24-18-20(23-10-8-15-4-6-17(29)7-5-15)25-19(26-21(18)27)16-3-2-9-22-11-16/h2-7,9,11,13-14,28-29H,8,10,12H2,1H3,(H,23,25,26)