3-[2,2-bis(fluoranyl)ethyl]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-[2,2-bis(fluoranyl)ethyl]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(2,2-difluoroethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(2,2-difluoroethyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(2,2-difluoroethyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2,2-difluoroethyl)-1-methyl-8-piperazino-xanthine Formula: C16H20F2N6O2 MolecularWeight: 366.365806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F2N6O2/c1-3-4-7-23-12-13(20-15(23)22-8-5-19-6-9-22)24(10-11(17)18)16(26)21(2)14(12)25/h11,19H,5-10H2,1-2H3