(2S)-3-[6-azanyl-8-(4-methylpiperazin-4-ium-1-yl)-7H-purin-3-ium-3-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[6-azanyl-8-(4-methylpiperazin-4-ium-1-yl)-7H-purin-3-ium-3-yl]propane-1,2-diol Openeye Name: (2S)-3-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)-7H-purin-3-ium-3-yl]propane-1,2-diol CAS Name: (2S)-3-[6-amino-8-(4-methyl-1-piperazin-4-iumyl)-7H-purin-3-ium-3-yl]propane-1,2-diol IUPAC Name: (2S)-3-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)-7H-purin-3-ium-3-yl]propane-1,2-diol Traditional Name: (2S)-3-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)-7H-purin-3-ium-3-yl]propane-1,2-diol Formula: C13H23N7O2+2 MolecularWeight: 309.36742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=[N+](C=NC(=C3N2)N)CC(CO)O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=[N+](C=NC(=C3N2)N)C[C@@H](CO)O

InChI

InChI=1S/C13H21N7O2/c1-18-2-4-19(5-3-18)13-16-10-11(14)15-8-20(12(10)17-13)6-9(22)7-21/h8-9,21-22H,2-7H2,1H3,(H2,14,16,17)/p+2/t9-/m0/s1