methyl 2-[1-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-2-oxolanyl]-2-oxo-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C12H18N2O13P2S MolecularWeight: 492.289442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

COC(=O)CSC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C12H18N2O13P2S/c1-24-8(15)5-30-7-2-3-14(12(18)13-7)11-10(17)9(16)6(26-11)4-25-29(22,23)27-28(19,20)21/h2-3,6,9-11,16-17H,4-5H2,1H3,(H,22,23)(H2,19,20,21)/t6-,9-,10-,11-/m1/s1