2-[[2-[(3R)-3-azanyl-3-methyl-piperidin-1-yl]-5-bromanyl-6-oxidanylidene-pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanyl-3-methyl-piperidin-1-yl]-5-bromanyl-6-oxidanylidene-pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-3-methyl-1-piperidyl]-5-bromo-6-oxo-pyrimidin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-3-methyl-1-piperidinyl]-5-bromo-6-oxo-1-pyrimidinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 2-[[2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-bromo-6-oxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 2-[[2-[(3R)-3-amino-3-methyl-piperidino]-5-bromo-6-keto-pyrimidin-1-yl]methyl]-4-fluoro-benzonitrile Formula: C18H19BrFN5O MolecularWeight: 420.278763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1(CCCN(C1)C2=NC=C(C(=O)N2CC3=C(C=CC(=C3)F)C#N)Br)N

InChI

InChI=1S/C18H19BrFN5O/c1-18(22)5-2-6-24(11-18)17-23-9-15(19)16(26)25(17)10-13-7-14(20)4-3-12(13)8-21/h3-4,7,9H,2,5-6,10-11,22H2,1H3/t18-/m1/s1