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

Systemtic Name: 4-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylic acid Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-1-methyl-3H-purin-8-yl)piperazine-1-carboxylic acid Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=O)N(C2=O)C)N=C1N3CCN(CC3)C(=O)O

Isomeric SMILES

CC#CCN1C2=C(NC(=O)N(C2=O)C)N=C1N3CCN(CC3)C(=O)O

InChI

InChI=1S/C15H18N6O4/c1-3-4-5-21-10-11(17-14(23)18(2)12(10)22)16-13(21)19-6-8-20(9-7-19)15(24)25/h5-9H2,1-2H3,(H,17,23)(H,24,25)