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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-7-ethyl-8-oxidanylidene-2-(4-propan-2-ylphenyl)purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-7-ethyl-2-(4-isopropylphenyl)-8-oxo-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-7-ethyl-8-oxo-2-(4-propan-2-ylphenyl)-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-7-ethyl-8-oxo-2-(4-propan-2-ylphenyl)purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-7-ethyl-8-keto-2-p-cumenyl-purine-6-carboxamide Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C(C)C)C(=O)N

Isomeric SMILES

CCN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C(C)C)C(=O)N

InChI

InChI=1S/C24H23N5O4/c1-4-28-20-19(21(25)30)26-22(15-7-5-14(6-8-15)13(2)3)27-23(20)29(24(28)31)16-9-10-17-18(11-16)33-12-32-17/h5-11,13H,4,12H2,1-3H3,(H2,25,30)