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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(4-isopropylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-p-cumenyl-7H-purine-6-carboxamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O4/c1-11(2)12-3-5-13(6-4-12)20-24-17(19(23)28)18-21(26-20)27(22(29)25-18)14-7-8-15-16(9-14)31-10-30-15/h3-9,11H,10H2,1-2H3,(H2,23,28)(H,25,29)