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

Systemtic Name: 7-but-2-ynyl-3-(3-fluoranylpropyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(3-fluoropropyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(3-fluoropropyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(3-fluoropropyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(3-fluoropropyl)-1-methyl-8-piperazino-xanthine Formula: C17H23FN6O2 MolecularWeight: 362.401923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23FN6O2/c1-3-4-9-23-13-14(20-16(23)22-11-7-19-8-12-22)24(10-5-6-18)17(26)21(2)15(13)25/h19H,5-12H2,1-2H3