phenyl 1,3,7-trimethyl-2,6-bis(oxidanylidene)purine-8-sulfinate

Systemtic Name: phenyl 1,3,7-trimethyl-2,6-bis(oxidanylidene)purine-8-sulfinate Openeye Name: phenyl 1,3,7-trimethyl-2,6-dioxo-purine-8-sulfinate CAS Name: 1,3,7-trimethyl-2,6-dioxo-8-purinesulfinic acid phenyl ester IUPAC Name: phenyl 1,3,7-trimethyl-2,6-dioxopurine-8-sulfinate Traditional Name: 2,6-diketo-1,3,7-trimethyl-purine-8-sulfinic acid phenyl ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1S(=O)OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1S(=O)OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H14N4O4S/c1-16-10-11(17(2)14(20)18(3)12(10)19)15-13(16)23(21)22-9-7-5-4-6-8-9/h4-8H,1-3H3