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

Systemtic Name: 4-[3-[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]propylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[3-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propylcarbamoyl]benzenesulfonyl fluoride CAS Name: 4-[[3-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 4-[3-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[3-(8-cyclopentyl-2,6-diketo-1-propyl-7H-purin-3-yl)propylcarbamoyl]benzenesulfonyl fluoride Formula: C23H28FN5O5S MolecularWeight: 505.562323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)