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

Systemtic Name: 4-[3-[[4-(6-azanyl-7H-purin-8-yl)phenyl]methylamino]-3-oxidanylidene-propyl]benzenesulfonyl fluoride Openeye Name: 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxo-propyl]benzenesulfonyl fluoride CAS Name: 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride IUPAC Name: 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride Traditional Name: 4-[3-[[4-(6-amino-7H-purin-8-yl)benzyl]amino]-3-keto-propyl]benzenesulfonyl fluoride Formula: C21H19FN6O3S MolecularWeight: 454.477363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NCC2=CC=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)NCC2=CC=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N)S(=O)(=O)F

InChI

InChI=1S/C21H19FN6O3S/c22-32(30,31)16-8-3-13(4-9-16)5-10-17(29)24-11-14-1-6-15(7-2-14)20-27-18-19(23)25-12-26-21(18)28-20/h1-4,6-9,12H,5,10-11H2,(H,24,29)(H3,23,25,26,27,28)