[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-4-[[3-[2-[2-[7-(dimethylamino)-2-oxidanylidene-chromen-4-yl]ethanoylamino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-4-[[3-[2-[2-[7-(dimethylamino)-2-oxidanylidene-chromen-4-yl]ethanoylamino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-4-[[3-[2-[[2-[7-(dimethylamino)-2-oxo-chromen-4-yl]acetyl]amino]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[[2-[7-(dimethylamino)-2-oxo-1-benzopyran-4-yl]-1-oxoethyl]amino]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-4-[[3-[2-[[2-[7-(dimethylamino)-2-keto-chromen-4-yl]acetyl]amino]ethylamino]-3-keto-propyl]amino]-3-hydroxy-4-keto-2,2-dimethyl-butyl] hydrogen phosphate Formula: C34H48N9O19P3 MolecularWeight: 979.715103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)N(C)C)O

Isomeric SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)N(C)C)O

InChI

InChI=1S/C34H48N9O19P3/c1-34(2,29(48)32(49)38-8-7-23(44)36-9-10-37-24(45)11-18-12-25(46)59-21-13-19(42(3)4)5-6-20(18)21)15-58-65(55,56)62-64(53,54)57-14-22-28(61-63(50,51)52)27(47)33(60-22)43-17-41-26-30(35)39-16-40-31(26)43/h5-6,12-13,16-17,22,27-29,33,47-48H,7-11,14-15H2,1-4H3,(H,36,44)(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,35,39,40)(H2,50,51,52)/t22-,27-,28-,29+,33-/m1/s1