phenyl 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanesulfonate

Systemtic Name: phenyl 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanesulfonate Openeye Name: phenyl 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)ethanesulfonate CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)ethanesulfonate Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)ethanesulfonic acid phenyl ester Formula: C15H15BrN4O5S MolecularWeight: 443.2724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCS(=O)(=O)OC3=CC=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCS(=O)(=O)OC3=CC=CC=C3)Br

InChI

InChI=1S/C15H15BrN4O5S/c1-18-12-11(13(21)19(2)15(18)22)17-14(16)20(12)8-9-26(23,24)25-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3