3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoic acid CAS Name: 3-[1-[4-(5-carbamimidoyl-2-pyrimidinyl)phenyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[4-(5-amidinopyrimidin-2-yl)phenyl]imidazol-4-yl]propionic acid Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C=N2)C(=N)N)N3C=C(N=C3)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C=N2)C(=N)N)N3C=C(N=C3)CCC(=O)O

InChI

InChI=1S/C17H16N6O2/c18-16(19)12-7-20-17(21-8-12)11-1-4-14(5-2-11)23-9-13(22-10-23)3-6-15(24)25/h1-2,4-5,7-10H,3,6H2,(H3,18,19)(H,24,25)