(2S)-2-methyl-3-[[9-methyl-6-[(phenylmethyl)amino]purin-2-yl]amino]propan-1-ol

Systemtic Name: (2S)-2-methyl-3-[[9-methyl-6-[(phenylmethyl)amino]purin-2-yl]amino]propan-1-ol Openeye Name: (2S)-3-[[6-(benzylamino)-9-methyl-purin-2-yl]amino]-2-methyl-propan-1-ol CAS Name: (2S)-2-methyl-3-[[9-methyl-6-[(phenylmethyl)amino]-2-purinyl]amino]-1-propanol IUPAC Name: (2S)-3-[[6-(benzylamino)-9-methylpurin-2-yl]amino]-2-methylpropan-1-ol Traditional Name: (2S)-3-[[6-(benzylamino)-9-methyl-purin-2-yl]amino]-2-methyl-propan-1-ol Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C)CO

Isomeric SMILES

C[C@@H](CNC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C)CO

InChI

InChI=1S/C17H22N6O/c1-12(10-24)8-19-17-21-15(14-16(22-17)23(2)11-20-14)18-9-13-6-4-3-5-7-13/h3-7,11-12,24H,8-10H2,1-2H3,(H2,18,19,21,22)/t12-/m0/s1