8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-chloranyl-5-fluoranyl-phenyl)methyl]-2-[3-(fluoranylmethoxy)phenoxy]-1-methyl-purin-6-one

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-chloranyl-5-fluoranyl-phenyl)methyl]-2-[3-(fluoranylmethoxy)phenoxy]-1-methyl-purin-6-one Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(2-chloro-5-fluoro-phenyl)methyl]-2-[3-(fluoromethoxy)phenoxy]-1-methyl-purin-6-one CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(2-chloro-5-fluorophenyl)methyl]-2-[3-(fluoromethoxy)phenoxy]-1-methyl-6-purinone IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chloro-5-fluorophenyl)methyl]-2-[3-(fluoromethoxy)phenoxy]-1-methylpurin-6-one Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(2-chloro-5-fluoro-benzyl)-2-[3-(fluoromethoxy)phenoxy]-1-methyl-purin-6-one Formula: C25H25ClF2N6O3 MolecularWeight: 530.954206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=C(C=CC(=C3)F)Cl)N4CCCC(C4)N)N=C1OC5=CC(=CC=C5)OCF

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=C(C=CC(=C3)F)Cl)N4CCC[C@H](C4)N)N=C1OC5=CC(=CC=C5)OCF

InChI

InChI=1S/C25H25ClF2N6O3/c1-32-23(35)21-22(31-25(32)37-19-6-2-5-18(11-19)36-14-27)30-24(33-9-3-4-17(29)13-33)34(21)12-15-10-16(28)7-8-20(15)26/h2,5-8,10-11,17H,3-4,9,12-14,29H2,1H3/t17-/m1/s1