2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-ethynylphenyl)ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-ethynylphenyl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(3-ethynylphenyl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-(3-ethynylphenyl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-ethynylphenyl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(3-ethynylphenyl)acetamide Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C17H15N5O3/c1-4-11-6-5-7-12(8-11)19-13(23)9-22-16(24)14-15(18-10-20(14)2)21(3)17(22)25/h1,5-8,10H,9H2,2-3H3,(H,19,23)