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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-thiophen-2-yl-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(2-thienyl)-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-thiophen-2-yl-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-thiophen-2-yl-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-(2-thienyl)-7H-purine-6-carboxamide Formula: C17H11N5O4S MolecularWeight: 381.36534

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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=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)C5=CC=CS5

InChI

InChI=1S/C17H11N5O4S/c18-14(23)12-13-16(21-15(19-12)11-2-1-5-27-11)22(17(24)20-13)8-3-4-9-10(6-8)26-7-25-9/h1-6H,7H2,(H2,18,23)(H,20,24)