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

Systemtic Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[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(=CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)NC2=O)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)NC2=O)C)C

InChI

InChI=1S/C16H22N6O4/c1-10(2)4-5-22-11-12(19(3)15(24)18-13(11)23)17-14(22)20-6-8-21(9-7-20)16(25)26/h4H,5-9H2,1-3H3,(H,25,26)(H,18,23,24)