2-(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-1,2-dihydropurin-3-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-1,2-dihydropurin-3-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-1,2-dihydropurin-3-yl)-2-oxo-acetic acid CAS Name: 2-[7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-1,2-dihydropurin-3-yl]-2-oxoacetic acid IUPAC Name: 2-(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-1,2-dihydropurin-3-yl)-2-oxoacetic acid Traditional Name: 2-(7-but-2-ynyl-6-keto-8-piperazino-1,2-dihydropurin-3-yl)-2-keto-acetic acid Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(CNC2=O)C(=O)C(=O)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(CNC2=O)C(=O)C(=O)O

InChI

InChI=1S/C15H18N6O4/c1-2-3-6-20-10-11(18-15(20)19-7-4-16-5-8-19)21(9-17-12(10)22)13(23)14(24)25/h16H,4-9H2,1H3,(H,17,22)(H,24,25)