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

Systemtic Name: 2-[7-but-2-ynyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 2-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxo-8-purinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylic acid Traditional Name: 2-(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#CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C3CNCCN3C(=O)O

Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C3CNCCN3C(=O)O

InChI

InChI=1S/C16H20N6O4/c1-4-5-7-22-11-13(19(2)15(24)20(3)14(11)23)18-12(22)10-9-17-6-8-21(10)16(25)26/h10,17H,6-9H2,1-3H3,(H,25,26)