[5-(4-azanyl-5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-methylsulfanylethyl carbonate

Systemtic Name: [5-(4-azanyl-5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-methylsulfanylethyl carbonate Openeye Name: [5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-methylsulfanylethyl carbonate CAS Name: carbonic acid [5-(4-amino-5-iodo-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl 2-(methylthio)ethyl ester IUPAC Name: [5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-methylsulfanylethyl carbonate Traditional Name: carbonic acid [5-(4-amino-5-iodo-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-(methylthio)ethyl ester Formula: C13H18IN3O7S MolecularWeight: 487.26739

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)OCC1C(C(C(O1)N2C=C(C(=NC2=O)N)I)O)O

Isomeric SMILES

CSCCOC(=O)OCC1C(C(C(O1)N2C=C(C(=NC2=O)N)I)O)O

InChI

InChI=1S/C13H18IN3O7S/c1-25-3-2-22-13(21)23-5-7-8(18)9(19)11(24-7)17-4-6(14)10(15)16-12(17)20/h4,7-9,11,18-19H,2-3,5H2,1H3,(H2,15,16,20)