1-[4-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-(2-morpholin-4-ylethylamino)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-(2-morpholin-4-ylethylamino)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-(2-morpholinoethylamino)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-[2-(4-morpholinyl)ethylamino]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-(2-morpholin-4-ylethylamino)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-(2-morpholinoethylamino)phosphoryl]oxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C27H40N9O12P MolecularWeight: 713.633361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(NCCN3CCOCC3)OCC4C(C(C(O4)N5C=NC6=C5NC(=NC6=O)N)OC)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(NCCN3CCOCC3)OCC4C(C(C(O4)N5C=NC6=C5NC(=NC6=O)N)OC)O

InChI

InChI=1S/C27H40N9O12P/c1-14-10-35(27(41)33-23(14)39)18-9-15(16(11-37)46-18)48-49(42,30-3-4-34-5-7-44-8-6-34)45-12-17-20(38)21(43-2)25(47-17)36-13-29-19-22(36)31-26(28)32-24(19)40/h10,13,15-18,20-21,25,37-38H,3-9,11-12H2,1-2H3,(H,30,42)(H,33,39,41)(H3,28,31,32,40)