9-(1,3-benzodioxol-5-yl)-2-[3,4-bis(fluoranyl)phenyl]-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-[3,4-bis(fluoranyl)phenyl]-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C19H11F2N5O4 MolecularWeight: 411.318546

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C19H11F2N5O4/c20-10-3-1-8(5-11(10)21)17-23-14(16(22)27)15-18(25-17)26(19(28)24-15)9-2-4-12-13(6-9)30-7-29-12/h1-6H,7H2,(H2,22,27)(H,24,28)