8-[(3R)-3-azanylpiperidin-1-yl]-7-[(5-fluoranyl-2-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(5-fluoranyl-2-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(5-fluoro-2-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(5-fluoro-2-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(5-fluoro-2-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(5-fluoro-2-methyl-benzyl)-1,3-dimethyl-xanthine Formula: C20H25FN6O2 MolecularWeight: 400.449903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CN2C3=C(N=C2N4CCCC(C4)N)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN2C3=C(N=C2N4CCC[C@H](C4)N)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H25FN6O2/c1-12-6-7-14(21)9-13(12)10-27-16-17(24(2)20(29)25(3)18(16)28)23-19(27)26-8-4-5-15(22)11-26/h6-7,9,15H,4-5,8,10-11,22H2,1-3H3/t15-/m1/s1