[(2R,3S,5R)-5-(3,5-dimethyl-2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-(3,5-dimethyl-2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(3,5-dimethyl-2-oxo-4-thioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R,3S,5R)-5-(3,5-dimethyl-2-oxo-4-sulfanylidene-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-(3,5-dimethyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(2-keto-3,5-dimethyl-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C21H29N4O11PS MolecularWeight: 576.513921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=S)N(C4=O)C)C)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=S)N(C4=O)C)C)O

InChI

InChI=1S/C21H29N4O11PS/c1-10-6-24(20(29)22-18(10)28)17-5-13(14(8-26)34-17)36-37(31,32)33-9-15-12(27)4-16(35-15)25-7-11(2)19(38)23(3)21(25)30/h6-7,12-17,26-27H,4-5,8-9H2,1-3H3,(H,31,32)(H,22,28,29)/t12-,13-,14+,15+,16+,17+/m0/s1