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

Systemtic Name: 1-[5-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[5-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[5-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[5-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[5-[[[5-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-(1,3-benzodioxol-4-ylmethylamino)phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C28H33N8O12P MolecularWeight: 704.581781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NCC3=C4C(=CC=C3)OCO4)OC5CC(OC5CO)N6C=NC7=C6NC(=NC7=O)N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NCC3=C4C(=CC=C3)OCO4)OC5CC(OC5CO)N6C=NC7=C6NC(=NC7=O)N)O

InChI

InChI=1S/C28H33N8O12P/c1-13-8-35(28(41)34-25(13)39)20-5-15(38)19(47-20)10-45-49(42,31-7-14-3-2-4-16-23(14)44-12-43-16)48-17-6-21(46-18(17)9-37)36-11-30-22-24(36)32-27(29)33-26(22)40/h2-4,8,11,15,17-21,37-38H,5-7,9-10,12H2,1H3,(H,31,42)(H,34,39,41)(H3,29,32,33,40)