4-[[4-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[4-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[[4-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 4-[[4-[(2-amino-6-oxo-3H-purin-7-yl)methyl]anilino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 4-[[4-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[[4-[(2-amino-6-keto-3H-purin-7-yl)methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C19H15FN6O4S MolecularWeight: 442.423603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3)N)NC(=O)C4=CC=C(C=C4)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3)N)NC(=O)C4=CC=C(C=C4)S(=O)(=O)F

InChI

InChI=1S/C19H15FN6O4S/c20-31(29,30)14-7-3-12(4-8-14)17(27)23-13-5-1-11(2-6-13)9-26-10-22-16-15(26)18(28)25-19(21)24-16/h1-8,10H,9H2,(H,23,27)(H3,21,24,25,28)