[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxidanidyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxolan-2-yl]methyl [(2R,3R,5S)-2-[6-azanylidene-1-(phenylmethyl)purin-9-yl]-5-(hydroxymethyl)oxolan-3-yl] phosphate; triethylazanium

Systemtic Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxidanidyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxolan-2-yl]methyl [(2R,3R,5S)-2-[6-azanylidene-1-(phenylmethyl)purin-9-yl]-5-(hydroxymethyl)oxolan-3-yl] phosphate; triethylazanium Openeye Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxido-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl [(2R,3R,5S)-2-(1-benzyl-6-imino-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate; triethylammonium CAS Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxidophosphoryl]oxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-2-oxolanyl]methyl [(2R,3R,5S)-5-(hydroxymethyl)-2-[6-imino-1-(phenylmethyl)-9-purinyl]-3-oxolanyl] phosphate; triethylammonium IUPAC Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxidophosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxyoxolan-2-yl]methyl [(2R,3R,5S)-2-(1-benzyl-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] phosphate; triethylazanium Traditional Name: [(2S,4R,5R)-5-adenin-9-yl-4-[[(2S,4R,5R)-5-adenin-9-yl-4-[2-(adenin-9-ylmethoxy)ethoxy-oxido-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl [(2R,3R,5S)-2-(1-benzyl-6-imino-purin-9-yl)-5-methylol-tetrahydrofuran-3-yl] phosphate; triethylammonium Formula: C63H98N23O17P3 MolecularWeight: 1542.517403

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C1C(OC(C1OP(=O)([O-])OCC2CC(C(O2)N3C=NC4=C3N=CN=C4N)OP(=O)([O-])OCC5CC(C(O5)N6C=NC7=C6N=CN=C7N)OP(=O)([O-])OCCOCN8C=NC9=C8N=CN=C9N)N1C=NC2=C1N=CN(C2=N)CC1=CC=CC=C1)CO

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C1[C@H](O[C@H]([C@@H]1OP(=O)([O-])OC[C@@H]2C[C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)OP(=O)([O-])OC[C@@H]5C[C@H]([C@@H](O5)N6C=NC7=C6N=CN=C7N)OP(=O)([O-])OCCOCN8C=NC9=C8N=CN=C9N)N1C=NC2=C1N=CN(C2=N)CC1=CC=CC=C1)CO

InChI

InChI=1S/C45H53N20O17P3.3C6H15N/c46-35-31-39(53-15-50-35)62(18-56-31)23-73-6-7-74-83(67,68)80-29-9-26(78-44(29)63-20-57-32-36(47)51-16-54-40(32)63)13-76-85(71,72)82-30-10-27(79-45(30)64-21-58-33-37(48)52-17-55-41(33)64)14-75-84(69,70)81-28-8-25(12-66)77-43(28)65-22-59-34-38(49)61(19-60-42(34)65)11-24-4-2-1-3-5-24;3*1-4-7(5-2)6-3/h1-5,15-22,25-30,43-45,49,66H,6-14,23H2,(H,67,68)(H,69,70)(H,71,72)(H2,46,50,53)(H2,47,51,54)(H2,48,52,55);3*4-6H2,1-3H3/t25-,26-,27-,28+,29+,30+,43+,44+,45+;;;/m0.../s1