[(1S,2S,4S)-4-(6-methylsulfanylpurin-9-yl)-2-oxidanyl-cyclopentyl]oxymethylphosphonic acid

Systemtic Name: [(1S,2S,4S)-4-(6-methylsulfanylpurin-9-yl)-2-oxidanyl-cyclopentyl]oxymethylphosphonic acid Openeye Name: [(1S,2S,4S)-2-hydroxy-4-(6-methylsulfanylpurin-9-yl)cyclopentoxy]methylphosphonic acid CAS Name: [(1S,2S,4S)-2-hydroxy-4-[6-(methylthio)-9-purinyl]cyclopentyl]oxymethylphosphonic acid IUPAC Name: [(1S,2S,4S)-2-hydroxy-4-(6-methylsulfanylpurin-9-yl)cyclopentyl]oxymethylphosphonic acid Traditional Name: [(1S,2S,4S)-2-hydroxy-4-[6-(methylthio)purin-9-yl]cyclopentoxy]methylphosphonic acid Formula: C12H17N4O5PS MolecularWeight: 360.325941

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2C3CC(C(C3)OCP(=O)(O)O)O

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](C3)OCP(=O)(O)O)O

InChI

InChI=1S/C12H17N4O5PS/c1-23-12-10-11(13-4-14-12)16(5-15-10)7-2-8(17)9(3-7)21-6-22(18,19)20/h4-5,7-9,17H,2-3,6H2,1H3,(H2,18,19,20)/t7-,8-,9-/m0/s1