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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)NC(=O)N3C

InChI

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