1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]phosphoryl]oxymethyl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]phosphoryl]oxymethyl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]phosphoryl]oxymethyl]-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]phosphoryl]oxymethyl]-4-hydroxy-3-methoxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]phosphoryl]oxymethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[5-[[(5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl)oxy-[homoveratryl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C32H43N8O12P MolecularWeight: 762.703981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(N(C)CCC3=CC(=C(C=C3)OC)OC)OC4CC(OC4CO)N5C=NC6=C5N=CN=C6N)O)OC

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(N(C)CCC3=CC(=C(C=C3)OC)OC)OC4CC(OC4CO)N5C=NC6=C5N=CN=C6N)O)OC

InChI

InChI=1S/C32H43N8O12P/c1-17-12-39(32(44)37-30(17)43)31-27(48-5)26(42)23(51-31)14-49-53(45,38(2)9-8-18-6-7-19(46-3)20(10-18)47-4)52-21-11-24(50-22(21)13-41)40-16-36-25-28(33)34-15-35-29(25)40/h6-7,10,12,15-16,21-24,26-27,31,41-42H,8-9,11,13-14H2,1-5H3,(H2,33,34,35)(H,37,43,44)