2-[[2-(3-azanylpiperidin-1-yl)-5-fluoranyl-6-oxidanylidene-pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-5-fluoranyl-6-oxidanylidene-pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[2-(3-amino-1-piperidyl)-5-fluoro-6-oxo-pyrimidin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 2-[[2-(3-amino-1-piperidinyl)-5-fluoro-6-oxo-1-pyrimidinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-5-fluoro-6-oxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 2-[[2-(3-aminopiperidino)-5-fluoro-6-keto-pyrimidin-1-yl]methyl]-4-fluoro-benzonitrile Formula: C17H17F2N5O MolecularWeight: 345.346586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C(=O)N2CC3=C(C=CC(=C3)F)C#N)F)N

Isomeric SMILES

C1CC(CN(C1)C2=NC=C(C(=O)N2CC3=C(C=CC(=C3)F)C#N)F)N

InChI

InChI=1S/C17H17F2N5O/c18-13-4-3-11(7-20)12(6-13)9-24-16(25)15(19)8-22-17(24)23-5-1-2-14(21)10-23/h3-4,6,8,14H,1-2,5,9-10,21H2