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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carboxylic acid Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazine-1-carboxylic acid Formula: C12H16N6O4 MolecularWeight: 308.29324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C12H16N6O4/c1-15-8-7(9(19)16(2)11(15)20)13-10(14-8)17-3-5-18(6-4-17)12(21)22/h3-6H2,1-2H3,(H,13,14)(H,21,22)