2-[[1-ethyl-3-(4-fluorophenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[1-ethyl-3-(4-fluorophenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[1-ethyl-3-(4-fluorophenyl)-2,6-dioxo-purin-7-yl]methyl]benzonitrile CAS Name: 2-[[1-ethyl-3-(4-fluorophenyl)-2,6-dioxo-7-purinyl]methyl]benzonitrile IUPAC Name: 2-[[1-ethyl-3-(4-fluorophenyl)-2,6-dioxopurin-7-yl]methyl]benzonitrile Traditional Name: 2-[[1-ethyl-3-(4-fluorophenyl)-2,6-diketo-purin-7-yl]methyl]benzonitrile Formula: C21H16FN5O2 MolecularWeight: 389.382443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3C#N)N(C1=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3C#N)N(C1=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5O2/c1-2-26-20(28)18-19(27(21(26)29)17-9-7-16(22)8-10-17)24-13-25(18)12-15-6-4-3-5-14(15)11-23/h3-10,13H,2,12H2,1H3