(2R)-3-[6-azanyl-8-(phenylmethylsulfanyl)-2,7-dihydro-1H-purin-3-ium-3-yl]propane-1,2-diol

Systemtic Name: (2R)-3-[6-azanyl-8-(phenylmethylsulfanyl)-2,7-dihydro-1H-purin-3-ium-3-yl]propane-1,2-diol Openeye Name: (2R)-3-(6-amino-8-benzylsulfanyl-2,7-dihydro-1H-purin-3-ium-3-yl)propane-1,2-diol CAS Name: (2R)-3-[6-amino-8-(phenylmethylthio)-2,7-dihydro-1H-purin-3-ium-3-yl]propane-1,2-diol IUPAC Name: (2R)-3-(6-amino-8-benzylsulfanyl-2,7-dihydro-1H-purin-3-ium-3-yl)propane-1,2-diol Traditional Name: (2R)-3-[6-amino-8-(benzylthio)-2,7-dihydro-1H-purin-3-ium-3-yl]propane-1,2-diol Formula: C15H20N5O2S+ MolecularWeight: 334.4166

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=C2C(=[N+]1CC(CO)O)N=C(N2)SCC3=CC=CC=C3)N

Isomeric SMILES

C1NC(=C2C(=[N+]1C[C@H](CO)O)N=C(N2)SCC3=CC=CC=C3)N

InChI

InChI=1S/C15H19N5O2S/c16-13-12-14(20(9-17-13)6-11(22)7-21)19-15(18-12)23-8-10-4-2-1-3-5-10/h1-5,11,21-22H,6-9H2,(H3,16,17,18,19)/p+1/t11-/m1/s1