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

Systemtic Name: 3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-yl]propanoic acid CAS Name: 3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-2-pyrimidinyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[5-(4-amidinophenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-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)N3C=C(N=C3)CCC(=O)O

Isomeric SMILES

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)N3C=C(N=C3)CCC(=O)O

InChI

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