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

Systemtic Name: methyl 2-azanyl-3-[2-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]-1H-imidazol-5-yl]propanoate Openeye Name: methyl 2-amino-3-[2-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]-1H-imidazol-5-yl]propanoate CAS Name: 2-amino-3-[2-[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-1H-imidazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-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]-2-amino-propionic acid methyl ester Formula: C18H19N7O2 MolecularWeight: 365.38916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=C(N1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

COC(=O)C(CC1=CN=C(N1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C18H19N7O2/c1-27-18(26)14(19)6-13-9-24-17(25-13)16-22-7-12(8-23-16)10-2-4-11(5-3-10)15(20)21/h2-5,7-9,14H,6,19H2,1H3,(H3,20,21)(H,24,25)