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

Systemtic Name: 2-(7-but-2-ynyl-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(7-but-2-ynyl-3-methyl-6-oxo-8-piperazin-1-yl-2H-purin-1-yl)-2-oxo-acetic acid CAS Name: 2-[7-but-2-ynyl-3-methyl-6-oxo-8-(1-piperazinyl)-2H-purin-1-yl]-2-oxoacetic acid IUPAC Name: 2-(7-but-2-ynyl-3-methyl-6-oxo-8-piperazin-1-yl-2H-purin-1-yl)-2-oxoacetic acid Traditional Name: 2-(7-but-2-ynyl-6-keto-3-methyl-8-piperazino-2H-purin-1-yl)-2-keto-acetic acid Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O4/c1-3-4-7-21-11-12(18-16(21)20-8-5-17-6-9-20)19(2)10-22(13(11)23)14(24)15(25)26/h17H,5-10H2,1-2H3,(H,25,26)