9-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-8-keto-7H-purine-6-carboxamide Formula: C19H12BrN5O4 MolecularWeight: 454.23368

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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(=CC=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN5O4/c20-10-3-1-2-9(6-10)17-22-14(16(21)26)15-18(24-17)25(19(27)23-15)11-4-5-12-13(7-11)29-8-28-12/h1-7H,8H2,(H2,21,26)(H,23,27)