2-[[(3E)-3-[2,6-bis(oxidanylidene)-1-propyl-9H-purin-8-ylidene]-2-methyl-1H-pyrazol-5-yl]oxy]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[[(3E)-3-[2,6-bis(oxidanylidene)-1-propyl-9H-purin-8-ylidene]-2-methyl-1H-pyrazol-5-yl]oxy]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[(3E)-3-(2,6-dioxo-1-propyl-9H-purin-8-ylidene)-2-methyl-1H-pyrazol-5-yl]oxy]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[(3E)-3-(2,6-dioxo-1-propyl-9H-purin-8-ylidene)-2-methyl-1H-pyrazol-5-yl]oxy]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[(3E)-3-(2,6-dioxo-1-propyl-9H-purin-8-ylidene)-2-methyl-1H-pyrazol-5-yl]oxy]acetamide Traditional Name: 2-[[(5E)-5-(2,6-diketo-1-propyl-9H-purin-8-ylidene)-1-methyl-3-pyrazolin-3-yl]oxy]-N-(3,4-dimethylphenyl)acetamide Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=NC(=C3C=C(NN3C)OCC(=O)NC4=CC(=C(C=C4)C)C)NC2=NC1=O

Isomeric SMILES

CCCN1C(=O)C2=N/C(=C/3\C=C(NN3C)OCC(=O)NC4=CC(=C(C=C4)C)C)/NC2=NC1=O

InChI

InChI=1S/C22H25N7O4/c1-5-8-29-21(31)18-20(26-22(29)32)25-19(24-18)15-10-17(27-28(15)4)33-11-16(30)23-14-7-6-12(2)13(3)9-14/h6-7,9-10,27H,5,8,11H2,1-4H3,(H,23,30)(H,25,26,32)/b19-15-