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

Systemtic Name: methyl 2-azanyl-3-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]imidazol-4-yl]propanoate Openeye Name: methyl 2-amino-3-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]imidazol-4-yl]propanoate CAS Name: 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[5-(4-amidinophenyl)pyrimidin-2-yl]imidazol-4-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/c1-27-17(26)15(19)6-14-9-25(10-24-14)18-22-7-13(8-23-18)11-2-4-12(5-3-11)16(20)21/h2-5,7-10,15H,6,19H2,1H3,(H3,20,21)