3-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]imidazol-4-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N=C2)N3C=C(N=C3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2)N3C=C(N=C3)CCC(=O)O)C(=N)N

InChI

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