[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-1-phenyl-ethyl] methanesulfonate

Systemtic Name: [2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-1-phenyl-ethyl] methanesulfonate Openeye Name: [2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-1-phenyl-ethyl] methanesulfonate CAS Name: methanesulfonic acid [2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-phenylethyl] ester IUPAC Name: [2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-1-phenylethyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-1-phenyl-ethyl] ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C16H18N4O5S/c1-18-14-13(15(21)19(2)16(18)22)20(10-17-14)9-12(25-26(3,23)24)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3