3-[5-[6-azanyl-8-(3-fluorophenyl)-2-methyl-purin-9-yl]-3-methyl-3-propan-2-yl-cyclohexyl]-1H-pyridin-2-one hydrochloride

Systemtic Name: 3-[5-[6-azanyl-8-(3-fluorophenyl)-2-methyl-purin-9-yl]-3-methyl-3-propan-2-yl-cyclohexyl]-1H-pyridin-2-one hydrochloride Openeye Name: 3-[5-[6-amino-8-(3-fluorophenyl)-2-methyl-purin-9-yl]-3-isopropyl-3-methyl-cyclohexyl]-1H-pyridin-2-one hydrochloride CAS Name: 3-[5-[6-amino-8-(3-fluorophenyl)-2-methyl-9-purinyl]-3-methyl-3-propan-2-ylcyclohexyl]-1H-pyridin-2-one hydrochloride IUPAC Name: 3-[5-[6-amino-8-(3-fluorophenyl)-2-methylpurin-9-yl]-3-methyl-3-propan-2-ylcyclohexyl]-1H-pyridin-2-one hydrochloride Traditional Name: 3-[5-[6-amino-8-(3-fluorophenyl)-2-methyl-purin-9-yl]-3-isopropyl-3-methyl-cyclohexyl]-2-pyridone hydrochloride Formula: C27H32ClFN6O MolecularWeight: 511.033983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=C(N2C3CC(CC(C3)(C)C(C)C)C4=CC=CNC4=O)C5=CC(=CC=C5)F.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=C(N2C3CC(CC(C3)(C)C(C)C)C4=CC=CNC4=O)C5=CC(=CC=C5)F.Cl

InChI

InChI=1S/C27H31FN6O.ClH/c1-15(2)27(4)13-18(21-9-6-10-30-26(21)35)12-20(14-27)34-24(17-7-5-8-19(28)11-17)33-22-23(29)31-16(3)32-25(22)34;/h5-11,15,18,20H,12-14H2,1-4H3,(H,30,35)(H2,29,31,32);1H