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

Systemtic Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-methylphosphoryl]oxymethyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C21H28N7O10P MolecularWeight: 569.461681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3CO)N4C=NC5=C4NC(=NC5=O)N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=NC5=C4NC(=NC5=O)N)O

InChI

InChI=1S/C21H28N7O10P/c1-9-5-27(21(33)26-18(9)31)14-3-10(30)13(37-14)7-35-39(2,34)38-11-4-15(36-12(11)6-29)28-8-23-16-17(28)24-20(22)25-19(16)32/h5,8,10-15,29-30H,3-4,6-7H2,1-2H3,(H,26,31,33)(H3,22,24,25,32)/t10-,11-,12+,13+,14+,15+,39?/m0/s1