4-[[3-[4-(6-azanyl-7H-purin-8-yl)phenyl]carbonylphenyl]carbamoylamino]benzenesulfonyl fluoride

Systemtic Name: 4-[[3-[4-(6-azanyl-7H-purin-8-yl)phenyl]carbonylphenyl]carbamoylamino]benzenesulfonyl fluoride Openeye Name: 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoylamino]benzenesulfonyl fluoride CAS Name: 4-[[[3-[[4-(6-amino-7H-purin-8-yl)phenyl]-oxomethyl]anilino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoylamino]benzenesulfonyl fluoride Traditional Name: 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoylamino]benzenesulfonyl fluoride Formula: C25H18FN7O4S MolecularWeight: 531.518323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)C(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C(=NC=N5)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)C(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C(=NC=N5)N

InChI

InChI=1S/C25H18FN7O4S/c26-38(36,37)19-10-8-17(9-11-19)30-25(35)31-18-3-1-2-16(12-18)21(34)14-4-6-15(7-5-14)23-32-20-22(27)28-13-29-24(20)33-23/h1-13H,(H2,30,31,35)(H3,27,28,29,32,33)