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

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-methylsulfanylbenzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O

InChI

InChI=1S/C17H19N3O6S/c1-27-11-5-3-2-4-9(11)16(23)25-8-10-13(21)14(22)15(26-10)20-7-6-12(18)19-17(20)24/h2-7,10,13-15,21-22H,8H2,1H3,(H2,18,19,24)