[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-3-oxolanyl] dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-2-(dihydroxythiophosphoryloxymethyl)-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H15N5O9P2S MolecularWeight: 443.266722

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=S)(O)O)OP(=O)(O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(24-25(17,18)19)4(23-10)1-22-26(20,21)27/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1