9-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3H-purin-6-one

Systemtic Name: 9-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3H-purin-6-one Openeye Name: 9-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3H-purin-6-one CAS Name: 9-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]-3H-purin-6-one IUPAC Name: 9-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3H-purin-6-one Traditional Name: 9-[3-[4-[3-(trifluoromethyl)phenyl]piperazino]propyl]-3H-purin-6-one Formula: C19H21F3N6O MolecularWeight: 406.40485

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C=NC3=C2NC=NC3=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCN2C=NC3=C2NC=NC3=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H21F3N6O/c20-19(21,22)14-3-1-4-15(11-14)27-9-7-26(8-10-27)5-2-6-28-13-25-16-17(28)23-12-24-18(16)29/h1,3-4,11-13H,2,5-10H2,(H,23,24,29)