2-(4-ethoxy-3-methoxy-phenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(4-ethoxy-3-methoxy-phenyl)-9-(4-fluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C21H18FN5O4 MolecularWeight: 423.397123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N)OC

InChI

InChI=1S/C21H18FN5O4/c1-3-31-14-9-4-11(10-15(14)30-2)19-24-16(18(23)28)17-20(26-19)27(21(29)25-17)13-7-5-12(22)6-8-13/h4-10H,3H2,1-2H3,(H2,23,28)(H,25,29)