3-[[3-(3-fluorophenyl)-2,6-bis(oxidanylidene)-1-propan-2-yl-purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-(3-fluorophenyl)-2,6-bis(oxidanylidene)-1-propan-2-yl-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-(3-fluorophenyl)-1-isopropyl-2,6-dioxo-purin-7-yl]methyl]benzonitrile CAS Name: 3-[[3-(3-fluorophenyl)-2,6-dioxo-1-propan-2-yl-7-purinyl]methyl]benzonitrile IUPAC Name: 3-[[3-(3-fluorophenyl)-2,6-dioxo-1-propan-2-ylpurin-7-yl]methyl]benzonitrile Traditional Name: 3-[[3-(3-fluorophenyl)-1-isopropyl-2,6-diketo-purin-7-yl]methyl]benzonitrile Formula: C22H18FN5O2 MolecularWeight: 403.409023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=CN2CC3=CC=CC(=C3)C#N)N(C1=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=CN2CC3=CC=CC(=C3)C#N)N(C1=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H18FN5O2/c1-14(2)27-21(29)19-20(28(22(27)30)18-8-4-7-17(23)10-18)25-13-26(19)12-16-6-3-5-15(9-16)11-24/h3-10,13-14H,12H2,1-2H3