4-[4-[7-[3-(aminomethyl)phenyl]-6-oxidanylidene-purin-1-yl]-3-fluoranyl-phenyl]pyridine-3-sulfonamide

Systemtic Name: 4-[4-[7-[3-(aminomethyl)phenyl]-6-oxidanylidene-purin-1-yl]-3-fluoranyl-phenyl]pyridine-3-sulfonamide Openeye Name: 4-[4-[7-[3-(aminomethyl)phenyl]-6-oxo-purin-1-yl]-3-fluoro-phenyl]pyridine-3-sulfonamide CAS Name: 4-[4-[7-[3-(aminomethyl)phenyl]-6-oxo-1-purinyl]-3-fluorophenyl]-3-pyridinesulfonamide IUPAC Name: 4-[4-[7-[3-(aminomethyl)phenyl]-6-oxopurin-1-yl]-3-fluorophenyl]pyridine-3-sulfonamide Traditional Name: 4-[4-[7-[3-(aminomethyl)phenyl]-6-keto-purin-1-yl]-3-fluoro-phenyl]pyridine-3-sulfonamide Formula: C23H18FN7O3S MolecularWeight: 491.497523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NC3=C2C(=O)N(C=N3)C4=C(C=C(C=C4)C5=C(C=NC=C5)S(=O)(=O)N)F)CN

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NC3=C2C(=O)N(C=N3)C4=C(C=C(C=C4)C5=C(C=NC=C5)S(=O)(=O)N)F)CN

InChI

InChI=1S/C23H18FN7O3S/c24-18-9-15(17-6-7-27-11-20(17)35(26,33)34)4-5-19(18)31-13-29-22-21(23(31)32)30(12-28-22)16-3-1-2-14(8-16)10-25/h1-9,11-13H,10,25H2,(H2,26,33,34)