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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCOC(=O)C4=CC(=CC=C4)S(=O)(=O)F

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCOC(=O)C4=CC(=CC=C4)S(=O)(=O)F

InChI

InChI=1S/C23H27FN4O6S/c1-2-11-28-21(29)18-20(26-19(25-18)15-7-3-4-8-15)27(23(28)31)12-6-13-34-22(30)16-9-5-10-17(14-16)35(24,32)33/h5,9-10,14-15H,2-4,6-8,11-13H2,1H3,(H,25,26)