2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C21H24FN5O6S MolecularWeight: 493.508563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H24FN5O6S/c1-24-18-17(19(28)25(2)21(24)30)26(13-23-18)10-11-33-20(29)14-6-7-15(22)16(12-14)34(31,32)27-8-4-3-5-9-27/h6-7,12-13H,3-5,8-11H2,1-2H3