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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C21H17N5O6 MolecularWeight: 435.38958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C21H17N5O6/c1-29-11-4-6-13(30-2)12(8-11)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)10-3-5-14-15(7-10)32-9-31-14/h3-8H,9H2,1-2H3,(H2,22,27)(H,24,28)