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

Systemtic Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxidanidyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(hydroxymethyl)-4-oxidanyl-2-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-3-yl] phosphate; triethylazanium Openeye Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-[6-(benzylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate; triethylammonium CAS Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxidophosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-3-hydroxy-2-oxolanyl]methyl [(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[(phenylmethyl)amino]-9-purinyl]-3-oxolanyl] phosphate; triethylammonium IUPAC Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-[(6-aminopurin-9-yl)methoxy]ethoxy-oxidophosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-[6-(benzylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] phosphate; triethylazanium Traditional Name: [(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(2R,3R,4R,5R)-5-adenin-9-yl-4-[2-(adenin-9-ylmethoxy)ethoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-[6-(benzylamino)purin-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] phosphate; triethylammonium Formula: C63H98N23O20P3 MolecularWeight: 1590.515603

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)OP(=O)([O-])OCC5C(C(C(O5)N6C=NC7=C6N=CN=C7N)OP(=O)([O-])OCC8C(C(C(O8)N9C=NC1=C9N=CN=C1N)OP(=O)([O-])OCCOCN1C=NC2=C1N=CN=C2N)O)O

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CN=C7N)OP(=O)([O-])OC[C@@H]8[C@H]([C@H]([C@@H](O8)N9C=NC1=C9N=CN=C1N)OP(=O)([O-])OCCOCN1C=NC2=C1N=CN=C2N)O)O

InChI

InChI=1S/C45H53N20O20P3.3C6H15N/c46-35-25-39(54-12-50-35)62(16-58-25)20-76-6-7-77-86(70,71)83-33-30(68)23(81-44(33)63-17-59-26-36(47)51-13-55-40(26)63)10-79-88(74,75)85-34-31(69)24(82-45(34)64-18-60-27-37(48)52-14-56-41(27)64)11-78-87(72,73)84-32-29(67)22(9-66)80-43(32)65-19-61-28-38(53-15-57-42(28)65)49-8-21-4-2-1-3-5-21;3*1-4-7(5-2)6-3/h1-5,12-19,22-24,29-34,43-45,66-69H,6-11,20H2,(H,70,71)(H,72,73)(H,74,75)(H2,46,50,54)(H2,47,51,55)(H2,48,52,56)(H,49,53,57);3*4-6H2,1-3H3/t22-,23-,24-,29-,30-,31-,32-,33-,34-,43-,44-,45-;;;/m1.../s1