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

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-5-chloranyl-6-oxidanylidene-pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[2-(3-amino-1-piperidyl)-5-chloro-6-oxo-pyrimidin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 2-[[2-(3-amino-1-piperidinyl)-5-chloro-6-oxo-1-pyrimidinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-5-chloro-6-oxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 2-[[2-(3-aminopiperidino)-5-chloro-6-keto-pyrimidin-1-yl]methyl]-4-fluoro-benzonitrile Formula: C17H17ClFN5O MolecularWeight: 361.801183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClFN5O/c18-15-8-22-17(23-5-1-2-14(21)10-23)24(16(15)25)9-12-6-13(19)4-3-11(12)7-20/h3-4,6,8,14H,1-2,5,9-10,21H2