(2R)-1-morpholin-4-ium-4-yl-3-[6-(phenylmethylsulfanyl)purin-9-yl]propan-2-ol

Systemtic Name: (2R)-1-morpholin-4-ium-4-yl-3-[6-(phenylmethylsulfanyl)purin-9-yl]propan-2-ol Openeye Name: (2R)-1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-(4-morpholin-4-iumyl)-3-[6-(phenylmethylthio)-9-purinyl]-2-propanol IUPAC Name: (2R)-1-(6-benzylsulfanylpurin-9-yl)-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-[6-(benzylthio)purin-9-yl]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C19H24N5O2S+ MolecularWeight: 386.49116

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CN2C=NC3=C2N=CN=C3SCC4=CC=CC=C4)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](CN2C=NC3=C2N=CN=C3SCC4=CC=CC=C4)O

InChI

InChI=1S/C19H23N5O2S/c25-16(10-23-6-8-26-9-7-23)11-24-14-22-17-18(24)20-13-21-19(17)27-12-15-4-2-1-3-5-15/h1-5,13-14,16,25H,6-12H2/p+1/t16-/m0/s1