9-(4-fluorophenyl)-8-oxidanylidene-2-(2,3,4-trimethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-(4-fluorophenyl)-8-oxidanylidene-2-(2,3,4-trimethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 9-(4-fluorophenyl)-8-oxo-2-(2,3,4-trimethoxyphenyl)-7H-purine-6-carboxamide CAS Name: 9-(4-fluorophenyl)-8-oxo-2-(2,3,4-trimethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(4-fluorophenyl)-8-oxo-2-(2,3,4-trimethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 9-(4-fluorophenyl)-8-keto-2-(2,3,4-trimethoxyphenyl)-7H-purine-6-carboxamide Formula: C21H18FN5O5 MolecularWeight: 439.396523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N)OC)OC

InChI

InChI=1S/C21H18FN5O5/c1-30-13-9-8-12(16(31-2)17(13)32-3)19-24-14(18(23)28)15-20(26-19)27(21(29)25-15)11-6-4-10(22)5-7-11/h4-9H,1-3H3,(H2,23,28)(H,25,29)