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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-prop-2-ynyl-acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-prop-2-ynylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-prop-2-ynylacetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-propargyl-acetamide Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC#C

InChI

InChI=1S/C12H13N5O3/c1-4-5-13-8(18)6-17-7-14-10-9(17)11(19)16(3)12(20)15(10)2/h1,7H,5-6H2,2-3H3,(H,13,18)