9-(4-fluorophenyl)-8-oxidanylidene-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-(4-fluorophenyl)-8-oxidanylidene-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Openeye Name: 9-(4-fluorophenyl)-2-(4-isopropylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(4-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Traditional Name: 9-(4-fluorophenyl)-8-keto-2-p-cumenyl-7H-purine-6-carboxamide Formula: C21H18FN5O2 MolecularWeight: 391.398323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N

InChI

InChI=1S/C21H18FN5O2/c1-11(2)12-3-5-13(6-4-12)19-24-16(18(23)28)17-20(26-19)27(21(29)25-17)15-9-7-14(22)8-10-15/h3-11H,1-2H3,(H2,23,28)(H,25,29)