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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCCOC(=O)C3=CC=C(C=C3)S(=O)(=O)F)NC(=N2)C4CCCC4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCCOC(=O)C3=CC=C(C=C3)S(=O)(=O)F)NC(=N2)C4CCCC4

InChI

InChI=1S/C23H27FN4O6S/c1-2-12-27-20-18(25-19(26-20)15-6-3-4-7-15)21(29)28(23(27)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)