1-[4-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[4-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[4-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[4-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-methoxy-2-oxolanyl]methoxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[4-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[4-[[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C29H35N8O13P MolecularWeight: 734.607761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(NCC3=C4C(=CC=C3)OCO4)OCC5C(C(C(O5)N6C=NC7=C6NC(=NC7=O)N)OC)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(NCC3=C4C(=CC=C3)OCO4)OCC5C(C(C(O5)N6C=NC7=C6NC(=NC7=O)N)OC)O

InChI

InChI=1S/C29H35N8O13P/c1-13-8-36(29(42)35-25(13)40)19-6-16(17(9-38)48-19)50-51(43,32-7-14-4-3-5-15-22(14)46-12-45-15)47-10-18-21(39)23(44-2)27(49-18)37-11-31-20-24(37)33-28(30)34-26(20)41/h3-5,8,11,16-19,21,23,27,38-39H,6-7,9-10,12H2,1-2H3,(H,32,43)(H,35,40,42)(H3,30,33,34,41)