(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-azanyl-5-[bis(4-nitrophenoxy)phosphinothioyloxymethyl]oxolan-3-ol

Systemtic Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-azanyl-5-[bis(4-nitrophenoxy)phosphinothioyloxymethyl]oxolan-3-ol Openeye Name: (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-[bis(4-nitrophenoxy)phosphinothioyloxymethyl]tetrahydrofuran-3-ol CAS Name: (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-[bis(4-nitrophenoxy)phosphinothioyloxymethyl]-3-oxolanol IUPAC Name: (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-[bis(4-nitrophenoxy)phosphinothioyloxymethyl]oxolan-3-ol Traditional Name: (2R,3R,4S,5S)-2-adenin-9-yl-4-amino-5-[bis(4-nitrophenoxy)thiophosphoryloxymethyl]tetrahydrofuran-3-ol Formula: C22H21N8O9PS MolecularWeight: 604.489101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OP(=S)(OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)N)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=S)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)N)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N8O9PS/c23-17-16(37-22(19(17)31)28-11-27-18-20(24)25-10-26-21(18)28)9-36-40(41,38-14-5-1-12(2-6-14)29(32)33)39-15-7-3-13(4-8-15)30(34)35/h1-8,10-11,16-17,19,22,31H,9,23H2,(H2,24,25,26)/t16-,17-,19-,22-/m1/s1