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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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