3-[8-[2-methylpropyl-(phenylmethyl)amino]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[8-[2-methylpropyl-(phenylmethyl)amino]purin-9-yl]propane-1,2-diol Openeye Name: 3-[8-[benzyl(isobutyl)amino]purin-9-yl]propane-1,2-diol CAS Name: 3-[8-[2-methylpropyl-(phenylmethyl)amino]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[8-[benzyl(2-methylpropyl)amino]purin-9-yl]propane-1,2-diol Traditional Name: 3-[8-[benzyl(isobutyl)amino]purin-9-yl]propane-1,2-diol Formula: C19H25N5O2 MolecularWeight: 355.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C2=NC3=CN=CN=C3N2CC(CO)O

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2=NC3=CN=CN=C3N2CC(CO)O

InChI

InChI=1S/C19H25N5O2/c1-14(2)9-23(10-15-6-4-3-5-7-15)19-22-17-8-20-13-21-18(17)24(19)11-16(26)12-25/h3-8,13-14,16,25-26H,9-12H2,1-2H3