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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-(3-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C19H23FN6O2 MolecularWeight: 386.423323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC(=CC=C4)F

InChI

InChI=1S/C19H23FN6O2/c1-23-16-15(17(27)24(2)19(23)28)26(10-12-5-3-6-13(20)9-12)18(22-16)25-8-4-7-14(21)11-25/h3,5-6,9,14H,4,7-8,10-11,21H2,1-2H3