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

Systemtic Name: 3-[2-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]-1H-imidazol-5-yl]propanoic acid Openeye Name: 3-[2-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]-1H-imidazol-5-yl]propanoic acid CAS Name: 3-[2-[5-(4-carbamimidoylphenyl)-4-methyl-2-pyrimidinyl]-1H-imidazol-5-yl]propanoic acid IUPAC Name: 3-[2-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]-1H-imidazol-5-yl]propanoic acid Traditional Name: 3-[2-[5-(4-amidinophenyl)-4-methyl-pyrimidin-2-yl]-1H-imidazol-5-yl]propionic acid Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)C3=NC=C(N3)CCC(=O)O

Isomeric SMILES

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)C3=NC=C(N3)CCC(=O)O

InChI

InChI=1S/C18H18N6O2/c1-10-14(11-2-4-12(5-3-11)16(19)20)9-22-17(23-10)18-21-8-13(24-18)6-7-15(25)26/h2-5,8-9H,6-7H2,1H3,(H3,19,20)(H,21,24)(H,25,26)