7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-[4,4,4-tris(fluoranyl)butyl]purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-[4,4,4-tris(fluoranyl)butyl]purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-(4,4,4-trifluorobutyl)purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-3-(4,4,4-trifluorobutyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-(4,4,4-trifluorobutyl)purine-2,6-dione Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-3-(4,4,4-trifluorobutyl)xanthine Formula: C18H23F3N6O2 MolecularWeight: 412.40943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N6O2/c1-3-4-9-26-13-14(23-16(26)25-11-7-22-8-12-25)27(10-5-6-18(19,20)21)17(29)24(2)15(13)28/h22H,5-12H2,1-2H3