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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-(3,3-dimethylbut-1-ynyl)-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-(3,3-dimethylbut-1-ynyl)-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-(3,3-dimethylbut-1-ynyl)-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-(3,3-dimethylbut-1-ynyl)-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-(3,3-dimethylbut-1-ynyl)-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O/c1-23(2,3)11-10-18-14-26-22(27-12-6-9-20(25)16-27)28(21(18)29)15-19-8-5-4-7-17(19)13-24/h4-5,7-8,14,20H,6,9,12,15-16,25H2,1-3H3/t20-/m1/s1