7-but-2-ynyl-3-methyl-1-(2-oxidanylidenebutyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-3-methyl-1-(2-oxidanylidenebutyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-methyl-1-(2-oxobutyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-methyl-1-(2-oxobutyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-methyl-1-(2-oxobutyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-1-(2-ketobutyl)-3-methyl-8-piperazino-xanthine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CCC(=O)CN1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C18H24N6O3/c1-4-6-9-23-14-15(20-17(23)22-10-7-19-8-11-22)21(3)18(27)24(16(14)26)12-13(25)5-2/h19H,5,7-12H2,1-3H3