5-[[6-azanyl-8-[3-(trifluoromethyl)phenyl]purin-9-yl]methyl]-1-methyl-pyridin-2-one hydrochloride

Systemtic Name: 5-[[6-azanyl-8-[3-(trifluoromethyl)phenyl]purin-9-yl]methyl]-1-methyl-pyridin-2-one hydrochloride Openeye Name: 5-[[6-amino-8-[3-(trifluoromethyl)phenyl]purin-9-yl]methyl]-1-methyl-pyridin-2-one hydrochloride CAS Name: 5-[[6-amino-8-[3-(trifluoromethyl)phenyl]-9-purinyl]methyl]-1-methyl-2-pyridinone hydrochloride IUPAC Name: 5-[[6-amino-8-[3-(trifluoromethyl)phenyl]purin-9-yl]methyl]-1-methylpyridin-2-one hydrochloride Traditional Name: 5-[[6-amino-8-[3-(trifluoromethyl)phenyl]purin-9-yl]methyl]-1-methyl-2-pyridone hydrochloride Formula: C19H16ClF3N6O MolecularWeight: 436.81815

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=O)CN2C3=C(C(=NC=N3)N)N=C2C4=CC(=CC=C4)C(F)(F)F.Cl

Isomeric SMILES

CN1C=C(C=CC1=O)CN2C3=C(C(=NC=N3)N)N=C2C4=CC(=CC=C4)C(F)(F)F.Cl

InChI

InChI=1S/C19H15F3N6O.ClH/c1-27-8-11(5-6-14(27)29)9-28-17(26-15-16(23)24-10-25-18(15)28)12-3-2-4-13(7-12)19(20,21)22;/h2-8,10H,9H2,1H3,(H2,23,24,25);1H