4-cyano-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

Systemtic Name: 4-cyano-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide Openeye Name: 4-cyano-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide CAS Name: 4-cyano-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]benzamide IUPAC Name: 4-cyano-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide Traditional Name: 4-cyano-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1)NC(C)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN(C1=NC(=NC=C1)N[C@H](C)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N5O/c1-3-27(21(28)19-11-9-17(15-23)10-12-19)20-13-14-24-22(26-20)25-16(2)18-7-5-4-6-8-18/h4-14,16H,3H2,1-2H3,(H,24,25,26)/t16-/m1/s1