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

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrothiophen-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-thiolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxythiolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrothiophen-2-yl]methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(S2)N3C=CC(=NC3=O)N)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(S2)N3C=CC(=NC3=O)N)O)O

InChI

InChI=1S/C16H17N3O5S/c17-11-6-7-19(16(23)18-11)14-13(21)12(20)10(25-14)8-24-15(22)9-4-2-1-3-5-9/h1-7,10,12-14,20-21H,8H2,(H2,17,18,23)