2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3,7-dihydropurin-6-one

Systemtic Name: 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3,7-dihydropurin-6-one Openeye Name: 2-[4-[2-(trifluoromethyl)phenoxy]-1-piperidyl]-3,7-dihydropurin-6-one CAS Name: 2-[4-[2-(trifluoromethyl)phenoxy]-1-piperidinyl]-3,7-dihydropurin-6-one IUPAC Name: 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3,7-dihydropurin-6-one Traditional Name: 2-[4-[2-(trifluoromethyl)phenoxy]piperidino]-3,7-dihydropurin-6-one Formula: C17H16F3N5O2 MolecularWeight: 379.33645

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC=C2C(F)(F)F)C3=NC(=O)C4=C(N3)N=CN4

Isomeric SMILES

C1CN(CCC1OC2=CC=CC=C2C(F)(F)F)C3=NC(=O)C4=C(N3)N=CN4

InChI

InChI=1S/C17H16F3N5O2/c18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-25(8-6-10)16-23-14-13(15(26)24-16)21-9-22-14/h1-4,9-10H,5-8H2,(H2,21,22,23,24,26)