1-[(2-fluorophenyl)methyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C22H27FN6O2 MolecularWeight: 426.487183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C)C

InChI

InChI=1S/C22H27FN6O2/c1-15(2)8-11-28-18-19(25-21(28)27-12-9-24-10-13-27)26(3)22(31)29(20(18)30)14-16-6-4-5-7-17(16)23/h4-8,24H,9-14H2,1-3H3