(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[imidazol-1-yl(oxidanyl)phosphinothioyl]oxymethyl]oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[imidazol-1-yl(oxidanyl)phosphinothioyl]oxymethyl]oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(imidazol-1-yl)phosphinothioyl]oxymethyl]tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(1-imidazolyl)phosphinothioyl]oxymethyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(imidazol-1-yl)phosphinothioyl]oxymethyl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-[[hydroxy(imidazol-1-yl)thiophosphoryl]oxymethyl]tetrahydrofuran-3,4-diol Formula: C13H16N7O5PS MolecularWeight: 413.348801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)P(=S)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CN(C=N1)P(=S)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C13H16N7O5PS/c14-11-8-12(17-4-16-11)20(6-18-8)13-10(22)9(21)7(25-13)3-24-26(23,27)19-2-1-15-5-19/h1-2,4-7,9-10,13,21-22H,3H2,(H,23,27)(H2,14,16,17)/t7-,9-,10-,13-,26?/m1/s1