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

Systemtic Name: (2R)-3-[6-azanyl-8-(4-propylpiperazin-4-ium-1-yl)purin-3-yl]propane-1,2-diol Openeye Name: (2R)-3-[6-amino-8-(4-propylpiperazin-4-ium-1-yl)purin-3-yl]propane-1,2-diol CAS Name: (2R)-3-[6-amino-8-(4-propyl-1-piperazin-4-iumyl)-3-purinyl]propane-1,2-diol IUPAC Name: (2R)-3-[6-amino-8-(4-propylpiperazin-4-ium-1-yl)purin-3-yl]propane-1,2-diol Traditional Name: (2R)-3-[6-amino-8-(4-propylpiperazin-4-ium-1-yl)purin-3-yl]propane-1,2-diol Formula: C15H26N7O2+ MolecularWeight: 336.41264

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=NC3=C(N=CN(C3=N2)CC(CO)O)N

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=NC3=C(N=CN(C3=N2)C[C@H](CO)O)N

InChI

InChI=1S/C15H25N7O2/c1-2-3-20-4-6-21(7-5-20)15-18-12-13(16)17-10-22(14(12)19-15)8-11(24)9-23/h10-11,23-24H,2-9,16H2,1H3/p+1/t11-/m1/s1