tert-butyl (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-[6-azanyl-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-[6-azanyl-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-pyrrolidine-1-carboxylate CAS Name: (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-[6-amino-8-[(4-chlorophenyl)thio]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxypyrrolidine-1-carboxylate Traditional Name: (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-[6-amino-8-[(4-chlorophenyl)thio]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H35ClN6O14P2S MolecularWeight: 785.053422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1COP(=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

CC(C)(C)OC(=O)N1C[C@@H]([C@@H]([C@H]1COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3SC5=CC=C(C=C5)Cl)O)O)O)O

InChI

InChI=1S/C26H35ClN6O14P2S/c1-26(2,3)46-25(38)32-8-15(34)18(35)14(32)9-43-48(39,40)47-49(41,42)44-10-16-19(36)20(37)23(45-16)33-22-17(21(28)29-11-30-22)31-24(33)50-13-6-4-12(27)5-7-13/h4-7,11,14-16,18-20,23,34-37H,8-10H2,1-3H3,(H,39,40)(H,41,42)(H2,28,29,30)/t14-,15+,16-,18-,19-,20-,23-/m1/s1