1-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]purin-6-one

Systemtic Name: 1-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]purin-6-one Openeye Name: 1-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]purin-6-one CAS Name: 1-(1-piperazinyl)-4-[2-(trifluoromethyl)phenyl]-6-purinone IUPAC Name: 1-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]purin-6-one Traditional Name: 1-piperazino-4-[2-(trifluoromethyl)phenyl]purin-6-one Formula: C16H15F3N6O MolecularWeight: 364.32511

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)N2C=NC3(C(=NC=N3)C2=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1)N2C=NC3(C(=NC=N3)C2=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C16H15F3N6O/c17-16(18,19)12-4-2-1-3-11(12)15-13(21-9-22-15)14(26)25(10-23-15)24-7-5-20-6-8-24/h1-4,9-10,20H,5-8H2