3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methyl-N-[(1R)-1-phenylethyl]benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methyl-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[(1R)-1-phenylethyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-methyl-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[(1R)-1-phenylethyl]benzamide Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C2=CC=CC=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H](C)C2=CC=CC=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C22H20N4O/c1-15-8-10-20(21(27)26-16(2)18-6-4-3-5-7-18)12-19(15)11-9-17-13-24-22(23)25-14-17/h3-8,10,12-14,16H,1-2H3,(H,26,27)(H2,23,24,25)/t16-/m1/s1