8-[2,3-bis(oxidanyl)propyl]-5-oxidanylidene-6-(phenylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate

Systemtic Name: 8-[2,3-bis(oxidanyl)propyl]-5-oxidanylidene-6-(phenylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate Openeye Name: 6-benzyl-8-(2,3-dihydroxypropyl)-5-oxo-thiazolo[3,2-a]pyrimidin-8-ium-7-olate CAS Name: 8-(2,3-dihydroxypropyl)-5-oxo-6-(phenylmethyl)-7-thiazolo[3,2-a]pyrimidin-8-iumolate IUPAC Name: 6-benzyl-8-(2,3-dihydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate Traditional Name: 6-benzyl-8-glyceryl-5-keto-thiazolo[3,2-a]pyrimidin-8-ium-7-olate Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C([N+](=C3N(C2=O)C=CS3)CC(CO)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C([N+](=C3N(C2=O)C=CS3)CC(CO)O)[O-]

InChI

InChI=1S/C16H16N2O4S/c19-10-12(20)9-18-15(22)13(8-11-4-2-1-3-5-11)14(21)17-6-7-23-16(17)18/h1-7,12,19-20H,8-10H2