2-[[2-[(3R)-3-azanylcyclohexyl]-5-fluoranyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylcyclohexyl]-5-fluoranyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-aminocyclohexyl]-5-fluoro-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-aminocyclohexyl]-5-fluoro-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminocyclohexyl]-5-fluoro-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminocyclohexyl]-5-fluoro-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C18H19FN4O MolecularWeight: 326.368063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)N)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)F

Isomeric SMILES

C1C[C@H](CC(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)F)N

InChI

InChI=1S/C18H19FN4O/c19-16-10-22-17(12-6-3-7-15(21)8-12)23(18(16)24)11-14-5-2-1-4-13(14)9-20/h1-2,4-5,10,12,15H,3,6-8,11,21H2/t12?,15-/m1/s1