9-[(2S)-2,3-bis(oxidanyl)propyl]-8-(4-methylpiperazin-4-ium-1-yl)-3H-purin-6-one

Systemtic Name: 9-[(2S)-2,3-bis(oxidanyl)propyl]-8-(4-methylpiperazin-4-ium-1-yl)-3H-purin-6-one Openeye Name: 9-[(2S)-2,3-dihydroxypropyl]-8-(4-methylpiperazin-4-ium-1-yl)-3H-purin-6-one CAS Name: 9-[(2S)-2,3-dihydroxypropyl]-8-(4-methyl-1-piperazin-4-iumyl)-3H-purin-6-one IUPAC Name: 9-[(2S)-2,3-dihydroxypropyl]-8-(4-methylpiperazin-4-ium-1-yl)-3H-purin-6-one Traditional Name: 9-[(2S)-2,3-dihydroxypropyl]-8-(4-methylpiperazin-4-ium-1-yl)-3H-purin-6-one Formula: C13H21N6O3+ MolecularWeight: 309.34424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2C[C@@H](CO)O)NC=NC3=O

InChI

InChI=1S/C13H20N6O3/c1-17-2-4-18(5-3-17)13-16-10-11(14-8-15-12(10)22)19(13)6-9(21)7-20/h8-9,20-21H,2-7H2,1H3,(H,14,15,22)/p+1/t9-/m0/s1