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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-oxidanylidene-5-(3-oxidanylprop-1-ynyl)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-(3-hydroxyprop-1-ynyl)-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-(3-hydroxyprop-1-ynyl)-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-(3-hydroxyprop-1-ynyl)-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-(3-hydroxyprop-1-ynyl)-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)C#CCO)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)C#CCO)N

InChI

InChI=1S/C20H21N5O2/c21-11-15-5-1-2-6-17(15)13-25-19(27)16(7-4-10-26)12-23-20(25)24-9-3-8-18(22)14-24/h1-2,5-6,12,18,26H,3,8-10,13-14,22H2/t18-/m1/s1