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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-8-oxidanylidene-2-(4-propan-2-ylphenyl)purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(4-isopropylphenyl)-7-methyl-8-oxo-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-(4-propan-2-ylphenyl)-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-(4-propan-2-ylphenyl)purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-7-methyl-2-p-cumenyl-purine-6-carboxamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3C)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)N3C)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C23H21N5O4/c1-12(2)13-4-6-14(7-5-13)21-25-18(20(24)29)19-22(26-21)28(23(30)27(19)3)15-8-9-16-17(10-15)32-11-31-16/h4-10,12H,11H2,1-3H3,(H2,24,29)