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

Systemtic Name: 3-(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-2,3-dihydropurin-1-yl)-3-methyl-2-oxidanylidene-butanoic acid Openeye Name: 3-(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-2,3-dihydropurin-1-yl)-3-methyl-2-oxo-butanoic acid CAS Name: 3-[7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-2,3-dihydropurin-1-yl]-3-methyl-2-oxobutanoic acid IUPAC Name: 3-(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-2,3-dihydropurin-1-yl)-3-methyl-2-oxobutanoic acid Traditional Name: 3-(7-but-2-ynyl-6-keto-8-piperazino-2,3-dihydropurin-1-yl)-2-keto-3-methyl-butyric acid Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4/c1-4-5-8-23-12-14(21-17(23)22-9-6-19-7-10-22)20-11-24(15(12)26)18(2,3)13(25)16(27)28/h19-20H,6-11H2,1-3H3,(H,27,28)