9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-pyridin-4-yl-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-pyridin-4-yl-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(4-pyridyl)-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-(4-pyridyl)-7H-purine-6-carboxamide Formula: C18H12N6O4 MolecularWeight: 376.32568

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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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C18H12N6O4/c19-15(25)13-14-17(23-16(21-13)9-3-5-20-6-4-9)24(18(26)22-14)10-1-2-11-12(7-10)28-8-27-11/h1-7H,8H2,(H2,19,25)(H,22,26)