3-[2-(3-fluorophenyl)ethyl]-6-methyl-5-(2-methylpropyl)-2-(2-nitrophenyl)pyrimidin-4-one

Systemtic Name: 3-[2-(3-fluorophenyl)ethyl]-6-methyl-5-(2-methylpropyl)-2-(2-nitrophenyl)pyrimidin-4-one Openeye Name: 3-[2-(3-fluorophenyl)ethyl]-5-isobutyl-6-methyl-2-(2-nitrophenyl)pyrimidin-4-one CAS Name: 3-[2-(3-fluorophenyl)ethyl]-6-methyl-5-(2-methylpropyl)-2-(2-nitrophenyl)-4-pyrimidinone IUPAC Name: 3-[2-(3-fluorophenyl)ethyl]-6-methyl-5-(2-methylpropyl)-2-(2-nitrophenyl)pyrimidin-4-one Traditional Name: 3-[2-(3-fluorophenyl)ethyl]-5-isobutyl-6-methyl-2-(2-nitrophenyl)pyrimidin-4-one Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)C2=CC=CC=C2[N+](=O)[O-])CCC3=CC(=CC=C3)F)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)C2=CC=CC=C2[N+](=O)[O-])CCC3=CC(=CC=C3)F)CC(C)C

InChI

InChI=1S/C23H24FN3O3/c1-15(2)13-20-16(3)25-22(19-9-4-5-10-21(19)27(29)30)26(23(20)28)12-11-17-7-6-8-18(24)14-17/h4-10,14-15H,11-13H2,1-3H3