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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(3-hydroxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(3-hydroxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C19H13N5O5 MolecularWeight: 391.33702

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H13N5O5/c20-16(26)14-15-18(23-17(21-14)9-2-1-3-11(25)6-9)24(19(27)22-15)10-4-5-12-13(7-10)29-8-28-12/h1-7,25H,8H2,(H2,20,26)(H,22,27)