6-azanyl-1-methyl-3-purin-9-yl-4-[3-(trifluoromethyl)phenyl]pyridin-2-one hydrochloride

Systemtic Name: 6-azanyl-1-methyl-3-purin-9-yl-4-[3-(trifluoromethyl)phenyl]pyridin-2-one hydrochloride Openeye Name: 6-amino-1-methyl-3-purin-9-yl-4-[3-(trifluoromethyl)phenyl]pyridin-2-one hydrochloride CAS Name: 6-amino-1-methyl-3-(9-purinyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinone hydrochloride IUPAC Name: 6-amino-1-methyl-3-purin-9-yl-4-[3-(trifluoromethyl)phenyl]pyridin-2-one hydrochloride Traditional Name: 6-amino-1-methyl-3-purin-9-yl-4-[3-(trifluoromethyl)phenyl]-2-pyridone hydrochloride Formula: C18H14ClF3N6O MolecularWeight: 422.79157

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C(C1=O)N2C=NC3=CN=CN=C32)C4=CC(=CC=C4)C(F)(F)F)N.Cl

Isomeric SMILES

CN1C(=CC(=C(C1=O)N2C=NC3=CN=CN=C32)C4=CC(=CC=C4)C(F)(F)F)N.Cl

InChI

InChI=1S/C18H13F3N6O.ClH/c1-26-14(22)6-12(10-3-2-4-11(5-10)18(19,20)21)15(17(26)28)27-9-25-13-7-23-8-24-16(13)27;/h2-9H,22H2,1H3;1H