4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-ynyl-purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-ynyl-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-ynyl-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-ynyl-8-purinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-ynylpurin-8-yl)piperazine-1-carboxylic acid Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7-propargyl-purin-8-yl)piperazine-1-carboxylic acid Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)O)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)O)CC#C

InChI

InChI=1S/C15H18N6O4/c1-4-5-21-10-11(17(2)14(23)18(3)12(10)22)16-13(21)19-6-8-20(9-7-19)15(24)25/h1H,5-9H2,2-3H3,(H,24,25)