3-[6-[2-methylbutyl-(phenylmethyl)amino]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-[2-methylbutyl-(phenylmethyl)amino]purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-[benzyl(2-methylbutyl)amino]purin-9-yl]propane-1,2-diol CAS Name: 3-[6-[2-methylbutyl-(phenylmethyl)amino]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-[benzyl(2-methylbutyl)amino]purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-[benzyl(2-methylbutyl)amino]purin-9-yl]propane-1,2-diol Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(CC1=CC=CC=C1)C2=NC=NC3=C2N=CN3CC(CO)O

Isomeric SMILES

CCC(C)CN(CC1=CC=CC=C1)C2=NC=NC3=C2N=CN3CC(CO)O

InChI

InChI=1S/C20H27N5O2/c1-3-15(2)9-24(10-16-7-5-4-6-8-16)19-18-20(22-13-21-19)25(14-23-18)11-17(27)12-26/h4-8,13-15,17,26-27H,3,9-12H2,1-2H3