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

Systemtic Name: 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[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)N3CCN(CC3)C(=O)O)CC=C4CC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)O)CC=C4CC4

InChI

InChI=1S/C17H22N6O4/c1-19-13-12(14(24)20(2)16(19)25)23(6-5-11-3-4-11)15(18-13)21-7-9-22(10-8-21)17(26)27/h5H,3-4,6-10H2,1-2H3,(H,26,27)