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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(5-fluoranyl-2-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(5-fluoro-2-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(5-fluoro-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(5-fluoro-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(5-fluoro-2-methoxy-benzyl)-1,3-dimethyl-xanthine Formula: C20H25FN6O3 MolecularWeight: 416.449303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC[C@H](C3)N)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C20H25FN6O3/c1-24-17-16(18(28)25(2)20(24)29)27(10-12-9-13(21)6-7-15(12)30-3)19(23-17)26-8-4-5-14(22)11-26/h6-7,9,14H,4-5,8,10-11,22H2,1-3H3/t14-/m1/s1