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

Systemtic Name: 8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(4-fluorobenzyl)piperazino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H21FN6O2 MolecularWeight: 372.396743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C18H21FN6O2/c1-22-15-14(16(26)23(2)18(22)27)20-17(21-15)25-9-7-24(8-10-25)11-12-3-5-13(19)6-4-12/h3-6H,7-11H2,1-2H3,(H,20,21)