[5-(6-benzamidopurin-9-yl)-3-[(4-chloranylphenoxy)-(2-cyanoethoxy)phosphoryl]oxy-oxolan-2-yl]methyl (4-chlorophenyl) [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] phosphate

Systemtic Name: [5-(6-benzamidopurin-9-yl)-3-[(4-chloranylphenoxy)-(2-cyanoethoxy)phosphoryl]oxy-oxolan-2-yl]methyl (4-chlorophenyl) [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] phosphate Openeye Name: [5-(6-benzamidopurin-9-yl)-3-[(4-chlorophenoxy)-(2-cyanoethoxy)phosphoryl]oxy-tetrahydrofuran-2-yl]methyl (4-chlorophenyl) [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] phosphate CAS Name: phosphoric acid [5-(6-benzamido-9-purinyl)-3-[(4-chlorophenoxy)-(2-cyanoethoxy)phosphoryl]oxy-2-oxolanyl]methyl (4-chlorophenyl) [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-3-[(4-chlorophenoxy)-(2-cyanoethoxy)phosphoryl]oxyoxolan-2-yl]methyl (4-chlorophenyl) [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate Traditional Name: phosphoric acid [5-(6-benzamidopurin-9-yl)-3-[(4-chlorophenoxy)-(2-cyanoethoxy)phosphoryl]oxy-tetrahydrofuran-2-yl]methyl (4-chlorophenyl) [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C42H40Cl2N8O14P2 MolecularWeight: 1013.665722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(OCC3C(CC(O3)N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)OP(=O)(OCCC#N)OC7=CC=C(C=C7)Cl)OC8=CC=C(C=C8)Cl

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(OCC3C(CC(O3)N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)OP(=O)(OCCC#N)OC7=CC=C(C=C7)Cl)OC8=CC=C(C=C8)Cl

InChI

InChI=1S/C42H40Cl2N8O14P2/c1-25-20-51(42(56)50-40(25)54)35-18-31(33(21-53)61-35)65-68(58,64-30-14-10-28(44)11-15-30)60-22-34-32(66-67(57,59-17-5-16-45)63-29-12-8-27(43)9-13-29)19-36(62-34)52-24-48-37-38(46-23-47-39(37)52)49-41(55)26-6-3-2-4-7-26/h2-4,6-15,20,23-24,31-36,53H,5,17-19,21-22H2,1H3,(H,50,54,56)(H,46,47,49,55)