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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propa-1,2-dienyl-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-propa-1,2-dienyl-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-propa-1,2-dienyl-8-purinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propa-1,2-dienylpurin-8-yl)piperazine-1-carboxylic acid Traditional Name: 2-(2,6-diketo-1,3-dimethyl-7-propa-1,2-dienyl-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)C3CNCCN3C(=O)O)C=C=C

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O4/c1-4-6-21-10-12(18(2)14(23)19(3)13(10)22)17-11(21)9-8-16-5-7-20(9)15(24)25/h6,9,16H,1,5,7-8H2,2-3H3,(H,24,25)