8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-[4-(4-fluorophenyl)-1-piperazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[4-(4-fluorophenyl)piperazino]-7-isobutyl-3-methyl-xanthine Formula: C20H25FN6O2 MolecularWeight: 400.449903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)F)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25FN6O2/c1-13(2)12-27-16-17(24(3)20(29)23-18(16)28)22-19(27)26-10-8-25(9-11-26)15-6-4-14(21)5-7-15/h4-7,13H,8-12H2,1-3H3,(H,23,28,29)