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

Systemtic Name: (2R)-3-[6-azanyl-8-(phenylmethylsulfanyl)-7H-purin-3-ium-3-yl]propane-1,2-diol Openeye Name: (2R)-3-(6-amino-8-benzylsulfanyl-7H-purin-3-ium-3-yl)propane-1,2-diol CAS Name: (2R)-3-[6-amino-8-(phenylmethylthio)-7H-purin-3-ium-3-yl]propane-1,2-diol IUPAC Name: (2R)-3-(6-amino-8-benzylsulfanyl-7H-purin-3-ium-3-yl)propane-1,2-diol Traditional Name: (2R)-3-[6-amino-8-(benzylthio)-7H-purin-3-ium-3-yl]propane-1,2-diol Formula: C15H18N5O2S+ MolecularWeight: 332.40072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=[N+](C=NC(=C3N2)N)CC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=[N+](C=NC(=C3N2)N)C[C@H](CO)O

InChI

InChI=1S/C15H17N5O2S/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/h1-5,9,11,21-22H,6-8H2,(H2,16,18,19)/p+1/t11-/m1/s1