3-[[4-(6-oxidanylidene-3,7-dihydropurin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[4-(6-oxidanylidene-3,7-dihydropurin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[4-(6-oxo-3,7-dihydropurin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[oxo-[4-(6-oxo-3,7-dihydropurin-8-yl)anilino]methyl]benzenesulfonyl fluoride IUPAC Name: 3-[[4-(6-oxo-3,7-dihydropurin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[4-(6-keto-3,7-dihydropurin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C18H12FN5O4S MolecularWeight: 413.382383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C(=O)N=CN4

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C(=O)N=CN4

InChI

InChI=1S/C18H12FN5O4S/c19-29(27,28)13-3-1-2-11(8-13)17(25)22-12-6-4-10(5-7-12)15-23-14-16(24-15)20-9-21-18(14)26/h1-9H,(H,22,25)(H2,20,21,23,24,26)