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

Systemtic Name: 2-[7-but-2-ynyl-3-(2-methoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[7-but-2-ynyl-3-(2-methoxy-2-oxo-ethyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[7-but-2-ynyl-3-(2-methoxy-2-oxoethyl)-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[7-but-2-ynyl-3-(2-methoxy-2-oxoethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[7-but-2-ynyl-2,6-diketo-3-(2-keto-2-methoxy-ethyl)purin-8-yl]piperazine-1-carboxylic acid Formula: C17H20N6O6 MolecularWeight: 404.3773

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC2=C1C(=O)NC(=O)N2CC(=O)OC)C3CNCCN3C(=O)O

Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)NC(=O)N2CC(=O)OC)C3CNCCN3C(=O)O

InChI

InChI=1S/C17H20N6O6/c1-3-4-6-22-12-14(23(9-11(24)29-2)16(26)20-15(12)25)19-13(22)10-8-18-5-7-21(10)17(27)28/h10,18H,5-9H2,1-2H3,(H,27,28)(H,20,25,26)