(2S)-2-azanyl-3-[4-[2-azanyl-6-(2-phenylethynyl)pyrimidin-4-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[2-azanyl-6-(2-phenylethynyl)pyrimidin-4-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[2-amino-6-(2-phenylethynyl)pyrimidin-4-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[2-amino-6-(2-phenylethynyl)-4-pyrimidinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[2-amino-6-(2-phenylethynyl)pyrimidin-4-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[2-amino-6-(2-phenylethynyl)pyrimidin-4-yl]phenyl]propionic acid Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=NC(=N2)N)C3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=NC(=N2)N)C3=CC=C(C=C3)C[C@@H](C(=O)O)N

InChI

InChI=1S/C21H18N4O2/c22-18(20(26)27)12-15-6-9-16(10-7-15)19-13-17(24-21(23)25-19)11-8-14-4-2-1-3-5-14/h1-7,9-10,13,18H,12,22H2,(H,26,27)(H2,23,24,25)/t18-/m0/s1