2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C20H14FN5O4 MolecularWeight: 407.354663

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC(=C4C(=N3)N(C(=O)N4)C5=CC=C(C=C5)F)C(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC(=C4C(=N3)N(C(=O)N4)C5=CC=C(C=C5)F)C(=O)N

InChI

InChI=1S/C20H14FN5O4/c21-11-2-4-12(5-3-11)26-19-16(24-20(26)28)15(17(22)27)23-18(25-19)10-1-6-13-14(9-10)30-8-7-29-13/h1-6,9H,7-8H2,(H2,22,27)(H,24,28)