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

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-[2,2,2-tris(fluoranyl)ethyl]purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-(2,2,2-trifluoroethyl)purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-3-(2,2,2-trifluoroethyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-(2,2,2-trifluoroethyl)purine-2,6-dione Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-3-(2,2,2-trifluoroethyl)xanthine Formula: C16H19F3N6O2 MolecularWeight: 384.35627

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N6O2/c1-3-4-7-24-11-12(21-14(24)23-8-5-20-6-9-23)25(10-16(17,18)19)15(27)22(2)13(11)26/h20H,5-10H2,1-2H3