[3-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]cyclopentyl] 4-fluorosulfonylbenzoate

Systemtic Name: [3-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]cyclopentyl] 4-fluorosulfonylbenzoate Openeye Name: [3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclopentyl] 4-fluorosulfonylbenzoate CAS Name: 4-fluorosulfonylbenzoic acid [3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclopentyl] ester IUPAC Name: [3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclopentyl] 4-fluorosulfonylbenzoate Traditional Name: 4-fluorosulfonylbenzoic acid [3-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)cyclopentyl] ester Formula: C23H27FN4O6S MolecularWeight: 506.547083

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)F

InChI

InChI=1S/C23H27FN4O6S/c1-3-11-27-20-18(21(29)28(12-4-2)23(27)31)25-19(26-20)15-5-8-16(13-15)34-22(30)14-6-9-17(10-7-14)35(24,32)33/h6-7,9-10,15-16H,3-5,8,11-13H2,1-2H3,(H,25,26)