1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(3-oxidanylpropoxy)phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(3-oxidanylpropoxy)phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(3-hydroxypropoxy)phosphinothioyl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-(3-hydroxypropoxy)phosphinothioyl]oxymethyl]-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(3-hydroxypropoxy)phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-(3-hydroxypropoxy)thiophosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C23H33N4O12PS MolecularWeight: 620.566481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(OCCCO)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)C)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(OCCCO)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C)O

InChI

InChI=1S/C23H33N4O12PS/c1-12-8-26(22(33)24-20(12)31)18-6-14(30)17(38-18)11-36-40(41,35-5-3-4-28)39-15-7-19(37-16(15)10-29)27-9-13(2)21(32)25-23(27)34/h8-9,14-19,28-30H,3-7,10-11H2,1-2H3,(H,24,31,33)(H,25,32,34)/t14-,15-,16+,17+,18+,19+,40?/m0/s1