2-[7-but-2-ynyl-3-(2-ethoxyethyl)-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-6-oxo-8-piperazin-1-yl-2H-purin-1-yl]-2-oxo-acetic acid CAS Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-6-oxo-8-(1-piperazinyl)-2H-purin-1-yl]-2-oxoacetic acid IUPAC Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-6-oxo-8-piperazin-1-yl-2H-purin-1-yl]-2-oxoacetic acid Traditional Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-6-keto-8-piperazino-2H-purin-1-yl]-2-keto-acetic acid Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1CN(C(=O)C2=C1N=C(N2CC#CC)N3CCNCC3)C(=O)C(=O)O

Isomeric SMILES

CCOCCN1CN(C(=O)C2=C1N=C(N2CC#CC)N3CCNCC3)C(=O)C(=O)O

InChI

InChI=1S/C19H26N6O5/c1-3-5-8-24-14-15(21-19(24)22-9-6-20-7-10-22)23(11-12-30-4-2)13-25(16(14)26)17(27)18(28)29/h20H,4,6-13H2,1-2H3,(H,28,29)