[4-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]-3-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]-3-methoxy-phenyl] methanesulfonate Openeye Name: [4-(2,6-dioxo-3,7-dihydropurin-8-yl)-3-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(2,6-dioxo-3,7-dihydropurin-8-yl)-3-methoxyphenyl] ester IUPAC Name: [4-(2,6-dioxo-3,7-dihydropurin-8-yl)-3-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2,6-diketo-3,7-dihydropurin-8-yl)-3-methoxy-phenyl] ester Formula: C13H12N4O6S MolecularWeight: 352.32258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)C(=O)NC(=O)N3

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)C(=O)NC(=O)N3

InChI

InChI=1S/C13H12N4O6S/c1-22-8-5-6(23-24(2,20)21)3-4-7(8)10-14-9-11(15-10)16-13(19)17-12(9)18/h3-5H,1-2H3,(H3,14,15,16,17,18,19)