8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1-methyl-2-(trifluoromethyl)purin-6-one

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1-methyl-2-(trifluoromethyl)purin-6-one Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(2-bromophenyl)methyl]-1-methyl-2-(trifluoromethyl)purin-6-one CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(2-bromophenyl)methyl]-1-methyl-2-(trifluoromethyl)-6-purinone IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1-methyl-2-(trifluoromethyl)purin-6-one Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(2-bromobenzyl)-1-methyl-2-(trifluoromethyl)purin-6-one Formula: C19H20BrF3N6O MolecularWeight: 485.30091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1C(F)(F)F)N=C(N2CC3=CC=CC=C3Br)N4CCCC(C4)N

Isomeric SMILES

CN1C(=O)C2=C(N=C1C(F)(F)F)N=C(N2CC3=CC=CC=C3Br)N4CCC[C@H](C4)N

InChI

InChI=1S/C19H20BrF3N6O/c1-27-16(30)14-15(25-17(27)19(21,22)23)26-18(28-8-4-6-12(24)10-28)29(14)9-11-5-2-3-7-13(11)20/h2-3,5,7,12H,4,6,8-10,24H2,1H3/t12-/m1/s1