2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)purin-8-yl]piperazine-1-carboxylic acid Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(=NC2=C1C(=O)NC(=O)N2C)C3CNCCN3C(=O)O)C

Isomeric SMILES

CC(=CCN1C(=NC2=C1C(=O)NC(=O)N2C)C3CNCCN3C(=O)O)C

InChI

InChI=1S/C16H22N6O4/c1-9(2)4-6-22-11-13(20(3)15(24)19-14(11)23)18-12(22)10-8-17-5-7-21(10)16(25)26/h4,10,17H,5-8H2,1-3H3,(H,25,26)(H,19,23,24)