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

Systemtic Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-[[4-(4-fluorophenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C21H25FN6O3 MolecularWeight: 428.460003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN6O3/c1-14(29)12-28-17(23-19-18(28)20(30)25(3)21(31)24(19)2)13-26-8-10-27(11-9-26)16-6-4-15(22)5-7-16/h4-7H,8-13H2,1-3H3