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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN=C(N1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CN=C(N1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

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