[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methoxy-phosphinothioyl]methanoic acid

Systemtic Name: [[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methoxy-phosphinothioyl]methanoic acid Openeye Name: [[(2S,5R)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-methoxy-phosphinothioyl]formic acid CAS Name: [[(2S,5R)-5-(6-aminopurin-9-yl)-2-oxolanyl]methoxy-methoxyphosphinothioyl]formic acid IUPAC Name: [[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methoxyphosphinothioyl]formic acid Traditional Name: [[(2S,5R)-5-adenin-9-yltetrahydrofuran-2-yl]methoxy-methoxy-thiophosphoryl]formic acid Formula: C12H16N5O5PS MolecularWeight: 373.324701

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Descriptors Computed from Structure

Canonical SMILES:

COP(=S)(C(=O)O)OCC1CCC(O1)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

COP(=S)(C(=O)O)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H16N5O5PS/c1-20-23(24,12(18)19)21-4-7-2-3-8(22-7)17-6-16-9-10(13)14-5-15-11(9)17/h5-8H,2-4H2,1H3,(H,18,19)(H2,13,14,15)/t7-,8+,23?/m0/s1