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

Systemtic Name: 2-[7-but-2-ynyl-3-(2-methoxy-2-oxidanylidene-ethyl)-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[7-but-2-ynyl-3-(2-methoxy-2-oxo-ethyl)-6-oxo-8-piperazin-1-yl-2H-purin-1-yl]-2-oxo-acetic acid CAS Name: 2-[7-but-2-ynyl-3-(2-methoxy-2-oxoethyl)-6-oxo-8-(1-piperazinyl)-2H-purin-1-yl]-2-oxoacetic acid IUPAC Name: 2-[7-but-2-ynyl-3-(2-methoxy-2-oxoethyl)-6-oxo-8-piperazin-1-yl-2H-purin-1-yl]-2-oxoacetic acid Traditional Name: 2-[7-but-2-ynyl-6-keto-3-(2-keto-2-methoxy-ethyl)-8-piperazino-2H-purin-1-yl]-2-keto-acetic acid Formula: C18H22N6O6 MolecularWeight: 418.40388

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(CN(C2=O)C(=O)C(=O)O)CC(=O)OC

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(CN(C2=O)C(=O)C(=O)O)CC(=O)OC

InChI

InChI=1S/C18H22N6O6/c1-3-4-7-23-13-14(20-18(23)21-8-5-19-6-9-21)22(10-12(25)30-2)11-24(15(13)26)16(27)17(28)29/h19H,5-11H2,1-2H3,(H,28,29)