[(1S,2S,4S)-2-oxidanyl-4-(6-sulfanylidene-3H-purin-9-yl)cyclopentyl]oxymethylphosphonic acid

Systemtic Name: [(1S,2S,4S)-2-oxidanyl-4-(6-sulfanylidene-3H-purin-9-yl)cyclopentyl]oxymethylphosphonic acid Openeye Name: [(1S,2S,4S)-2-hydroxy-4-(6-thioxo-3H-purin-9-yl)cyclopentoxy]methylphosphonic acid CAS Name: [(1S,2S,4S)-2-hydroxy-4-(6-sulfanylidene-3H-purin-9-yl)cyclopentyl]oxymethylphosphonic acid IUPAC Name: [(1S,2S,4S)-2-hydroxy-4-(6-sulfanylidene-3H-purin-9-yl)cyclopentyl]oxymethylphosphonic acid Traditional Name: [(1S,2S,4S)-2-hydroxy-4-(6-thioxo-3H-purin-9-yl)cyclopentoxy]methylphosphonic acid Formula: C11H15N4O5PS MolecularWeight: 346.299361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C1O)OCP(=O)(O)O)N2C=NC3=C2NC=NC3=S

Isomeric SMILES

C1[C@@H](C[C@@H]([C@H]1O)OCP(=O)(O)O)N2C=NC3=C2NC=NC3=S

InChI

InChI=1S/C11H15N4O5PS/c16-7-1-6(2-8(7)20-5-21(17,18)19)15-4-14-9-10(15)12-3-13-11(9)22/h3-4,6-8,16H,1-2,5H2,(H,12,13,22)(H2,17,18,19)/t6-,7-,8-/m0/s1