6-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one

Systemtic Name: 6-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one Openeye Name: 6-[[1-(7H-purin-6-yl)-4-piperidyl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one CAS Name: 6-[[1-(7H-purin-6-yl)-4-piperidinyl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one IUPAC Name: 6-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one Traditional Name: 6-[[1-(7H-purin-6-yl)-4-piperidyl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one Formula: C20H18F3N7O MolecularWeight: 429.39843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=CC3=C(C2=O)C=CC(=N3)C(F)(F)F)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCC1CN2C=CC3=C(C2=O)C=CC(=N3)C(F)(F)F)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H18F3N7O/c21-20(22,23)15-2-1-13-14(28-15)5-8-30(19(13)31)9-12-3-6-29(7-4-12)18-16-17(25-10-24-16)26-11-27-18/h1-2,5,8,10-12H,3-4,6-7,9H2,(H,24,25,26,27)