4-[3-[[3-[4-(6-azanyl-5H-purin-8-yl)phenyl]carbonylphenyl]amino]-3-oxidanylidene-propyl]benzenesulfonyl fluoride

Systemtic Name: 4-[3-[[3-[4-(6-azanyl-5H-purin-8-yl)phenyl]carbonylphenyl]amino]-3-oxidanylidene-propyl]benzenesulfonyl fluoride Openeye Name: 4-[3-[3-[4-(6-amino-5H-purin-8-yl)benzoyl]anilino]-3-oxo-propyl]benzenesulfonyl fluoride CAS Name: 4-[3-[3-[[4-(6-amino-5H-purin-8-yl)phenyl]-oxomethyl]anilino]-3-oxopropyl]benzenesulfonyl fluoride IUPAC Name: 4-[3-[3-[4-(6-amino-5H-purin-8-yl)benzoyl]anilino]-3-oxopropyl]benzenesulfonyl fluoride Traditional Name: 4-[3-[3-[4-(6-amino-5H-purin-8-yl)benzoyl]anilino]-3-keto-propyl]benzenesulfonyl fluoride Formula: C27H21FN6O4S MolecularWeight: 544.556843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)F)C(=O)C3=CC=C(C=C3)C4=NC5C(=NC=NC5=N4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)F)C(=O)C3=CC=C(C=C3)C4=NC5C(=NC=NC5=N4)N

InChI

InChI=1S/C27H21FN6O4S/c28-39(37,38)21-11-4-16(5-12-21)6-13-22(35)32-20-3-1-2-19(14-20)24(36)17-7-9-18(10-8-17)26-33-23-25(29)30-15-31-27(23)34-26/h1-5,7-12,14-15,23H,6,13H2,(H,32,35)(H2,29,30,31,33,34)