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

Systemtic Name: 2-[7-but-2-ynyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[7-but-2-ynyl-3-(2-ethoxy-2-oxo-ethyl)-2,6-dioxo-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[7-but-2-ynyl-3-(2-ethoxy-2-oxoethyl)-2,6-dioxo-1-phenethyl-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[7-but-2-ynyl-3-(2-ethoxy-2-oxoethyl)-2,6-dioxo-1-phenethylpurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[7-but-2-ynyl-3-(2-ethoxy-2-keto-ethyl)-2,6-diketo-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C26H30N6O6 MolecularWeight: 522.553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)C4CNCCN4C(=O)O)CC#CC

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)C4CNCCN4C(=O)O)CC#CC

InChI

InChI=1S/C26H30N6O6/c1-3-5-13-30-21-23(28-22(30)19-16-27-12-15-29(19)26(36)37)32(17-20(33)38-4-2)25(35)31(24(21)34)14-11-18-9-7-6-8-10-18/h6-10,19,27H,4,11-17H2,1-2H3,(H,36,37)