[[(2R,3R,5R)-5-[6-azanyl-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S)-3,4-bis(oxidanyl)pyrrolidin-2-yl]methyl phosphate

Systemtic Name: [[(2R,3R,5R)-5-[6-azanyl-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S)-3,4-bis(oxidanyl)pyrrolidin-2-yl]methyl phosphate Openeye Name: [[(2R,3R,5R)-5-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methyl phosphate CAS Name: [[(2R,3R,5R)-5-[6-amino-8-[(4-chlorophenyl)thio]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(2R,3S)-3,4-dihydroxy-2-pyrrolidinyl]methyl phosphate IUPAC Name: [[(2R,3R,5R)-5-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methyl phosphate Traditional Name: [[(2R,3R,5R)-5-[6-amino-8-[(4-chlorophenyl)thio]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methyl phosphate Formula: C21H25ClN6O12P2S-2 MolecularWeight: 682.921722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3SC5=CC=C(C=C5)Cl)O)O)O)O

Isomeric SMILES

C1C([C@H]([C@H](N1)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@@H](C([C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3SC5=CC=C(C=C5)Cl)O)O)O)O

InChI

InChI=1S/C21H27ClN6O12P2S/c22-9-1-3-10(4-2-9)43-21-27-14-18(23)25-8-26-19(14)28(21)20-17(32)16(31)13(39-20)7-38-42(35,36)40-41(33,34)37-6-11-15(30)12(29)5-24-11/h1-4,8,11-13,15-17,20,24,29-32H,5-7H2,(H,33,34)(H,35,36)(H2,23,25,26)/p-2/t11-,12?,13-,15+,16+,17?,20-/m1/s1