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

Systemtic Name: 3-[[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)amino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)carbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)carbamoyl]benzenesulfonyl fluoride Formula: C18H20FN5O5S MolecularWeight: 437.445303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN5O5S/c1-3-8-23-14-13(16(26)24(9-4-2)18(23)27)20-17(21-14)22-15(25)11-6-5-7-12(10-11)30(19,28)29/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22,25)