3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methoxy-phenyl]carbamoylamino]benzenesulfonyl fluoride

Systemtic Name: 3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methoxy-phenyl]carbamoylamino]benzenesulfonyl fluoride Openeye Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxy-phenyl]carbamoylamino]benzenesulfonyl fluoride CAS Name: 3-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxyanilino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxyphenyl]carbamoylamino]benzenesulfonyl fluoride Traditional Name: 3-[[5-(2-amino-6-keto-3H-purin-9-yl)-2-methoxy-phenyl]carbamoylamino]benzenesulfonyl fluoride Formula: C19H16FN7O5S MolecularWeight: 473.437643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NC3=C2NC(=NC3=O)N)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NC3=C2NC(=NC3=O)N)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F

InChI

InChI=1S/C19H16FN7O5S/c1-32-14-6-5-11(27-9-22-15-16(27)25-18(21)26-17(15)28)8-13(14)24-19(29)23-10-3-2-4-12(7-10)33(20,30)31/h2-9H,1H3,(H2,23,24,29)(H3,21,25,26,28)