1-[(2R,4S,5R)-5-[3-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-[(2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-[[(2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]propyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,4S,5R)-5-[3-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-[(2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-[[(2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]propyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-5-[2-[(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-[[(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-3-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]propyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-5-[2-[(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-2-[[(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methoxy]-3-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]propyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-5-[2-[(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-2-[[(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]propyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-5-[3-[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]-2-[(2S,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-[[(2S,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]propyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C40H47N17O13 MolecularWeight: 973.90728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CC(CC3C(CC(O3)N4C=NC5=C4N=CN=C5N)O)(C6C(CC(O6)N7C=NC8=C7NC(=NC8=O)N)O)OCC9C(CC(O9)N1C=NC2=C1NC(=NC2=O)N)O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CC(C[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C4N=CN=C5N)O)([C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7NC(=NC8=O)N)O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C1NC(=NC2=O)N)O)O

InChI

InChI=1S/C40H47N17O13/c1-14-8-54(39(65)53-34(14)62)22-2-15(58)19(67-22)6-40(7-20-16(59)3-23(68-20)55-11-46-26-30(41)44-10-45-31(26)55,29-18(61)5-25(70-29)57-13-48-28-33(57)50-38(43)52-36(28)64)66-9-21-17(60)4-24(69-21)56-12-47-27-32(56)49-37(42)51-35(27)63/h8,10-13,15-25,29,58-61H,2-7,9H2,1H3,(H2,41,44,45)(H,53,62,65)(H3,42,49,51,63)(H3,43,50,52,64)/t15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,29-,40?/m0/s1