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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetamide Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C16H21N5O3/c1-6-16(7-2,8-3)18-11(22)9-21-14(23)12-13(17-10-19(12)4)20(5)15(21)24/h1,10H,7-9H2,2-5H3,(H,18,22)