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

Systemtic Name: 2-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[7-(2-cyclopropylideneethyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CNCCN3C(=O)O)CC=C4CC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CNCCN3C(=O)O)CC=C4CC4

InChI

InChI=1S/C17H22N6O4/c1-20-14-12(15(24)21(2)16(20)25)23(7-5-10-3-4-10)13(19-14)11-9-18-6-8-22(11)17(26)27/h5,11,18H,3-4,6-9H2,1-2H3,(H,26,27)