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

Systemtic Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 8-[4-(4-fluorophenyl)-1-piperazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[4-(4-fluorophenyl)piperazino]-3-methyl-xanthine Formula: C23H23FN6O2 MolecularWeight: 434.466123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C23H23FN6O2/c1-27-20-19(21(31)26-23(27)32)30(15-16-5-3-2-4-6-16)22(25-20)29-13-11-28(12-14-29)18-9-7-17(24)8-10-18/h2-10H,11-15H2,1H3,(H,26,31,32)