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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-3-methyl-8-(4-methylpiperidino)xanthine Formula: C19H22FN5O2 MolecularWeight: 371.408683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H22FN5O2/c1-12-7-9-24(10-8-12)18-21-16-15(17(26)22-19(27)23(16)2)25(18)11-13-3-5-14(20)6-4-13/h3-6,12H,7-11H2,1-2H3,(H,22,26,27)