3-[[4-[(6-oxidanylidene-7H-purin-1-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[4-[(6-oxidanylidene-7H-purin-1-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[4-[(6-oxo-7H-purin-1-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[oxo-[4-[(6-oxo-7H-purin-1-yl)methyl]anilino]methyl]benzenesulfonyl fluoride IUPAC Name: 3-[[4-[(6-oxo-7H-purin-1-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[4-[(6-keto-7H-purin-1-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C19H14FN5O4S MolecularWeight: 427.408963

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)CN3C=NC4=C(C3=O)NC=N4

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)CN3C=NC4=C(C3=O)NC=N4

InChI

InChI=1S/C19H14FN5O4S/c20-30(28,29)15-3-1-2-13(8-15)18(26)24-14-6-4-12(5-7-14)9-25-11-23-17-16(19(25)27)21-10-22-17/h1-8,10-11H,9H2,(H,21,22)(H,24,26)