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

Systemtic Name: phenyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanesulfonate Openeye Name: phenyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethanesulfonate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanesulfonate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethanesulfonic acid phenyl ester Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O5S/c1-17-13-12(14(20)18(2)15(17)21)19(10-16-13)8-9-25(22,23)24-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3