1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-$l^{1}-selanyl-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-$l^{1}-selanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-$l^{1}-selanyl-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-$l^{1}-selanylphosphoryl]oxymethyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-$l^{1}-selanylphosphoryl]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-$l^{1}-selanyl-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C20H25N7O10PSe MolecularWeight: 633.387161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O10PSe/c1-8-4-26(20(32)25-17(8)30)13-2-9(29)12(36-13)6-34-38(33,39)37-10-3-14(35-11(10)5-28)27-7-22-15-16(27)23-19(21)24-18(15)31/h4,7,9-14,28-29H,2-3,5-6H2,1H3,(H,25,30,32)(H3,21,23,24,31)/t9-,10-,11+,12+,13+,14+,38?/m0/s1