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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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