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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-methyl-8-oxidanylidene-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-methyl-8-oxo-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-methyl-8-oxo-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-7-methyl-2-o-phenetyl-purine-6-carboxamide Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C3C(=N2)N(C(=O)N3C)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C3C(=N2)N(C(=O)N3C)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C22H19N5O5/c1-3-30-14-7-5-4-6-13(14)20-24-17(19(23)28)18-21(25-20)27(22(29)26(18)2)12-8-9-15-16(10-12)32-11-31-15/h4-10H,3,11H2,1-2H3,(H2,23,28)