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

Systemtic Name: 3-[5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[5-[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[5-[2-(4-amidinophenyl)pyrimidin-5-yl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)N1)CCC(=O)O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C(N(C(=O)N1)CCC(=O)O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H18N6O3/c18-15(19)10-1-3-11(4-2-10)16-20-7-12(8-21-16)13-9-22-17(26)23(13)6-5-14(24)25/h1-4,7-8,13H,5-6,9H2,(H3,18,19)(H,22,26)(H,24,25)