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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methyl-1-piperidyl)purine-2,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 1-(4-fluorobenzyl)-3,7-dimethyl-8-(3-methylpiperidino)xanthine Formula: C20H24FN5O2 MolecularWeight: 385.435263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H24FN5O2/c1-13-5-4-10-25(11-13)19-22-17-16(23(19)2)18(27)26(20(28)24(17)3)12-14-6-8-15(21)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3