[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl] (4-nitrophenyl) phosphate; triethylazanium

Systemtic Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl] (4-nitrophenyl) phosphate; triethylazanium Openeye Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-3-yl] (4-nitrophenyl) phosphate; triethylammonium CAS Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-3-oxolanyl] (4-nitrophenyl) phosphate; triethylammonium IUPAC Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl] (4-nitrophenyl) phosphate; triethylazanium Traditional Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-3-yl] (4-nitrophenyl) phosphate; triethylammonium Formula: C47H56N7O12P MolecularWeight: 941.961001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=O)([O-])OC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC.CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=O)([O-])OC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C41H41N6O12P.C6H15N/c1-25(2)38(48)44-40-43-37-36(39(49)45-40)42-24-46(37)35-22-33(59-60(52,53)58-32-20-14-29(15-21-32)47(50)51)34(57-35)23-56-41(26-8-6-5-7-9-26,27-10-16-30(54-3)17-11-27)28-12-18-31(55-4)19-13-28;1-4-7(5-2)6-3/h5-21,24-25,33-35H,22-23H2,1-4H3,(H,52,53)(H2,43,44,45,48,49);4-6H2,1-3H3/t33-,34+,35+;/m0./s1