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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-oxidanylidene-5-prop-1-ynyl-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-6-oxo-5-prop-1-ynyl-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-6-oxo-5-prop-1-ynyl-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-oxo-5-prop-1-ynylpyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-keto-5-prop-1-ynyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O/c1-2-6-16-12-23-20(24-10-5-9-18(22)14-24)25(19(16)26)13-17-8-4-3-7-15(17)11-21/h3-4,7-8,12,18H,5,9-10,13-14,22H2,1H3/t18-/m1/s1