4-[3-[[3-(6-azanyl-7H-purin-8-yl)phenyl]amino]-3-oxidanylidene-propyl]benzenesulfonyl fluoride

Systemtic Name: 4-[3-[[3-(6-azanyl-7H-purin-8-yl)phenyl]amino]-3-oxidanylidene-propyl]benzenesulfonyl fluoride Openeye Name: 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxo-propyl]benzenesulfonyl fluoride CAS Name: 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride IUPAC Name: 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride Traditional Name: 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-keto-propyl]benzenesulfonyl fluoride Formula: C20H17FN6O3S MolecularWeight: 440.450783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C20H17FN6O3S/c21-31(29,30)15-7-4-12(5-8-15)6-9-16(28)25-14-3-1-2-13(10-14)19-26-17-18(22)23-11-24-20(17)27-19/h1-5,7-8,10-11H,6,9H2,(H,25,28)(H3,22,23,24,26,27)