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

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O

InChI

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