3-[[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]methylcarbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]methylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)methylcarbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)methylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)methylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)methylcarbamoyl]benzenesulfonyl fluoride Formula: C19H22FN5O5S MolecularWeight: 451.471883

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)F

InChI

InChI=1S/C19H22FN5O5S/c1-3-8-24-16-15(18(27)25(9-4-2)19(24)28)22-14(23-16)11-21-17(26)12-6-5-7-13(10-12)31(20,29)30/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,26)(H,22,23)