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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-ethynyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-ethynyl-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-ethynyl-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-ethynyl-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-ethynyl-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C19H19N5O MolecularWeight: 333.38706

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CN=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N

Isomeric SMILES

C#CC1=CN=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N

InChI

InChI=1S/C19H19N5O/c1-2-14-11-22-19(23-9-5-8-17(21)13-23)24(18(14)25)12-16-7-4-3-6-15(16)10-20/h1,3-4,6-7,11,17H,5,8-9,12-13,21H2/t17-/m1/s1