[2-(6-methylsulfanylpurin-9-yl)-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [2-(6-methylsulfanylpurin-9-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-(6-methylsulfanylpurin-9-yl)butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-[6-(methylthio)-9-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-(6-methylsulfanylpurin-9-yl)butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-[6-(methylthio)purin-9-yl]butoxy]methylphosphonic acid Formula: C11H17N4O5PS MolecularWeight: 348.315241

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2C(CCO)COCP(=O)(O)O

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C11H17N4O5PS/c1-22-11-9-10(12-5-13-11)15(6-14-9)8(2-3-16)4-20-7-21(17,18)19/h5-6,8,16H,2-4,7H2,1H3,(H2,17,18,19)