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

Systemtic Name: (2R)-3-[6-azanyl-8-(4-methylpiperazin-4-ium-1-yl)purin-9-yl]propane-1,2-diol Openeye Name: (2R)-3-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)purin-9-yl]propane-1,2-diol CAS Name: (2R)-3-[6-amino-8-(4-methyl-1-piperazin-4-iumyl)-9-purinyl]propane-1,2-diol IUPAC Name: (2R)-3-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)purin-9-yl]propane-1,2-diol Traditional Name: (2R)-3-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)purin-9-yl]propane-1,2-diol Formula: C13H22N7O2+ MolecularWeight: 308.35948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2CC(CO)O)N=CN=C3N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2C[C@H](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)/p+1/t9-/m1/s1