3-[[3-[(2-fluoranylpyridin-4-yl)methyl]-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]-oxidanyl-methyl]-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[[3-[(2-fluoranylpyridin-4-yl)methyl]-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]-oxidanyl-methyl]-5-methyl-benzenecarbonitrile Openeye Name: 3-[[3-[(2-fluoro-4-pyridyl)methyl]-5-isopropyl-2,6-dioxo-pyrimidin-4-yl]-hydroxy-methyl]-5-methyl-benzonitrile CAS Name: 3-[[3-[(2-fluoro-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-hydroxymethyl]-5-methylbenzonitrile IUPAC Name: 3-[[3-[(2-fluoropyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidin-4-yl]-hydroxymethyl]-5-methylbenzonitrile Traditional Name: 3-[[3-[(2-fluoro-4-pyridyl)methyl]-5-isopropyl-2,6-diketo-pyrimidin-4-yl]-hydroxy-methyl]-5-methyl-benzonitrile Formula: C22H21FN4O3 MolecularWeight: 408.425543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#N)C(C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)F)C(C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1)C#N)C(C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)F)C(C)C)O

InChI

InChI=1S/C22H21FN4O3/c1-12(2)18-19(20(28)16-7-13(3)6-15(8-16)10-24)27(22(30)26-21(18)29)11-14-4-5-25-17(23)9-14/h4-9,12,20,28H,11H2,1-3H3,(H,26,29,30)