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

Systemtic Name: 4-[7-but-2-ynyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 4-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxo-8-purinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylic acid Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-1,3-dimethyl-purin-8-yl)piperazine-1-carboxylic acid Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O4/c1-4-5-6-22-11-12(18(2)15(24)19(3)13(11)23)17-14(22)20-7-9-21(10-8-20)16(25)26/h6-10H2,1-3H3,(H,25,26)