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

Systemtic Name: 3-[2-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]-1H-imidazol-5-yl]propanoic acid Openeye Name: 3-[2-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]-1H-imidazol-5-yl]propanoic acid CAS Name: 3-[2-[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-1H-imidazol-5-yl]propanoic acid IUPAC Name: 3-[2-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]-1H-imidazol-5-yl]propanoic acid Traditional Name: 3-[2-[5-(4-amidinophenyl)pyrimidin-2-yl]-1H-imidazol-5-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)C3=NC=C(N3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2)C3=NC=C(N3)CCC(=O)O)C(=N)N

InChI

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