[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-3-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-3-methoxy-phenyl] methanesulfonate Openeye Name: [4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxyphenyl] ester IUPAC Name: [4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-3-methoxy-phenyl] ester Formula: C15H16N4O6S MolecularWeight: 380.37574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)OS(=O)(=O)C)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)OS(=O)(=O)C)OC

InChI

InChI=1S/C15H16N4O6S/c1-18-13-11(14(20)19(2)15(18)21)16-12(17-13)9-6-5-8(7-10(9)24-3)25-26(4,22)23/h5-7H,1-4H3,(H,16,17)