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

Systemtic Name: 2-[[6-(3-azanylpiperidin-1-yl)-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[6-(3-amino-1-piperidyl)-3-methyl-2,4-dioxo-pyrimidin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 2-[[6-(3-amino-1-piperidinyl)-3-methyl-2,4-dioxo-1-pyrimidinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 2-[[6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 2-[[6-(3-aminopiperidino)-2,4-diketo-3-methyl-pyrimidin-1-yl]methyl]-4-fluoro-benzonitrile Formula: C18H20FN5O2 MolecularWeight: 357.382103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCCC(C3)N

Isomeric SMILES

CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCCC(C3)N

InChI

InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3