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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

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