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

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

C1CN(C(=O)N1CCC(=O)O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)N1CCC(=O)O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N

InChI

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