3-[6-azanyl-8-(4-methylpiperazin-1-yl)purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-azanyl-8-(4-methylpiperazin-1-yl)purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-amino-8-(4-methylpiperazin-1-yl)purin-9-yl]propane-1,2-diol CAS Name: 3-[6-amino-8-(4-methyl-1-piperazinyl)-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-amino-8-(4-methylpiperazin-1-yl)purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-amino-8-(4-methylpiperazino)purin-9-yl]propane-1,2-diol Formula: C13H21N7O2 MolecularWeight: 307.35154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC(CO)O)N=CN=C3N

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC(CO)O)N=CN=C3N

InChI

InChI=1S/C13H21N7O2/c1-18-2-4-19(5-3-18)13-17-10-11(14)15-8-16-12(10)20(13)6-9(22)7-21/h8-9,21-22H,2-7H2,1H3,(H2,14,15,16)