2-[2,6-bis(fluoranyl)phenoxy]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 2-[2,6-bis(fluoranyl)phenoxy]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-(2,6-difluorophenoxy)-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-(2,6-difluorophenoxy)-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-(2,6-difluorophenoxy)-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-(2,6-difluorophenoxy)-1-methyl-8-piperazino-purin-6-one Formula: C20H20F2N6O2 MolecularWeight: 414.408606

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C=CC=C4F)F

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C=CC=C4F)F

InChI

InChI=1S/C20H20F2N6O2/c1-3-4-10-28-15-17(24-19(28)27-11-8-23-9-12-27)25-20(26(2)18(15)29)30-16-13(21)6-5-7-14(16)22/h5-7,23H,8-12H2,1-2H3