[8-methylsulfanyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-3H-purin-1-yl] benzenesulfonate

Systemtic Name: [8-methylsulfanyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-3H-purin-1-yl] benzenesulfonate Openeye Name: (7-benzyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate CAS Name: benzenesulfonic acid [8-(methylthio)-2,6-dioxo-7-(phenylmethyl)-3H-purin-1-yl] ester IUPAC Name: (7-benzyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate Traditional Name: benzenesulfonic acid [7-benzyl-2,6-diketo-8-(methylthio)-3H-purin-1-yl] ester Formula: C19H16N4O5S2 MolecularWeight: 444.48414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O5S2/c1-29-19-21-16-15(22(19)12-13-8-4-2-5-9-13)17(24)23(18(25)20-16)28-30(26,27)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,25)