2-azanyl-3-[4-[4-(pyrimidin-2-ylsulfanylmethyl)phenyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[4-(pyrimidin-2-ylsulfanylmethyl)phenyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[4-(pyrimidin-2-ylsulfanylmethyl)phenyl]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[4-[(2-pyrimidinylthio)methyl]phenyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[4-(pyrimidin-2-ylsulfanylmethyl)phenyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[4-[(2-pyrimidylthio)methyl]phenyl]phenyl]propionic acid Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC=C(C=C2)C3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC=C(C=C2)C3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C20H19N3O2S/c21-18(19(24)25)12-14-2-6-16(7-3-14)17-8-4-15(5-9-17)13-26-20-22-10-1-11-23-20/h1-11,18H,12-13,21H2,(H,24,25)