[5-[4-azanyl-5-(ethoxymethoxy)-2-oxidanylidene-pyrimidin-1-yl]-4-oxidanyl-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-[4-azanyl-5-(ethoxymethoxy)-2-oxidanylidene-pyrimidin-1-yl]-4-oxidanyl-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate Openeye Name: [5-[4-amino-5-(ethoxymethoxy)-2-oxo-pyrimidin-1-yl]-4-hydroxy-2-(phosphonooxymethyl)tetrahydrothiophen-3-yl] dihydrogen phosphate CAS Name: [5-[4-amino-5-(ethoxymethoxy)-2-oxo-1-pyrimidinyl]-4-hydroxy-2-(phosphonooxymethyl)-3-thiolanyl] dihydrogen phosphate IUPAC Name: [5-[4-amino-5-(ethoxymethoxy)-2-oxopyrimidin-1-yl]-4-hydroxy-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate Traditional Name: [5-[4-amino-5-(ethoxymethoxy)-2-keto-pyrimidin-1-yl]-4-hydroxy-2-(phosphonooxymethyl)tetrahydrothiophen-3-yl] dihydrogen phosphate Formula: C12H21N3O12P2S MolecularWeight: 493.320562

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Descriptors Computed from Structure

Canonical SMILES:

CCOCOC1=CN(C(=O)N=C1N)C2C(C(C(S2)COP(=O)(O)O)OP(=O)(O)O)O

Isomeric SMILES

CCOCOC1=CN(C(=O)N=C1N)C2C(C(C(S2)COP(=O)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/C12H21N3O12P2S/c1-2-24-5-25-6-3-15(12(17)14-10(6)13)11-8(16)9(27-29(21,22)23)7(30-11)4-26-28(18,19)20/h3,7-9,11,16H,2,4-5H2,1H3,(H2,13,14,17)(H2,18,19,20)(H2,21,22,23)