[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] ester Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC(C2O)N3C=CC(=NC3=O)N)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC(C2O)N3C=CC(=NC3=O)N)CO

InChI

InChI=1S/C16H19N3O7S/c1-9-2-4-10(5-3-9)27(23,24)26-14-11(8-20)25-15(13(14)21)19-7-6-12(17)18-16(19)22/h2-7,11,13-15,20-21H,8H2,1H3,(H2,17,18,22)