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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-7H-purine-6-carboxamide Formula: C13H9N5O4 MolecularWeight: 299.24166

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5O4/c14-11(19)9-10-12(16-4-15-9)18(13(20)17-10)6-1-2-7-8(3-6)22-5-21-7/h1-4H,5H2,(H2,14,19)(H,17,20)