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

Systemtic Name: 7-but-2-ynyl-3-(2-fluoranylethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(2-fluoroethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(2-fluoroethyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(2-fluoroethyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-fluoroethyl)-1-methyl-8-piperazino-xanthine Formula: C16H21FN6O2 MolecularWeight: 348.375343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN6O2/c1-3-4-8-22-12-13(19-15(22)21-10-6-18-7-11-21)23(9-5-17)16(25)20(2)14(12)24/h18H,5-11H2,1-2H3