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

Systemtic Name: [2,6-bis(oxidanylidene)-7-(phenylmethyl)-3H-purin-1-yl] benzenesulfonate Openeye Name: (7-benzyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate CAS Name: benzenesulfonic acid [2,6-dioxo-7-(phenylmethyl)-3H-purin-1-yl] ester IUPAC Name: (7-benzyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (7-benzyl-2,6-diketo-3H-purin-1-yl) ester Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O5S/c23-17-15-16(19-12-21(15)11-13-7-3-1-4-8-13)20-18(24)22(17)27-28(25,26)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,24)