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

Systemtic Name: 3-[[3-(6-azanyl-7H-purin-8-yl)phenyl]carbamoyl]-4-methoxy-benzenesulfonyl fluoride Openeye Name: 3-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-4-methoxy-benzenesulfonyl fluoride CAS Name: 3-[[3-(6-amino-7H-purin-8-yl)anilino]-oxomethyl]-4-methoxybenzenesulfonyl fluoride IUPAC Name: 3-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-4-methoxybenzenesulfonyl fluoride Traditional Name: 3-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-4-methoxy-benzenesulfonyl fluoride Formula: C19H15FN6O4S MolecularWeight: 442.423603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)NC2=CC=CC(=C2)C3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)NC2=CC=CC(=C2)C3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C19H15FN6O4S/c1-30-14-6-5-12(31(20,28)29)8-13(14)19(27)24-11-4-2-3-10(7-11)17-25-15-16(21)22-9-23-18(15)26-17/h2-9H,1H3,(H,24,27)(H3,21,22,23,25,26)