methyl 3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoate CAS Name: 3-[1-[4-(5-carbamimidoyl-2-pyrimidinyl)phenyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[4-(5-amidinopyrimidin-2-yl)phenyl]imidazol-4-yl]propionic acid methyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C=N1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CN(C=N1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N

InChI

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