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

Systemtic Name: methyl 2-azanyl-3-[1-[5-(4-carbamimidoylphenyl)pyrazin-2-yl]imidazol-4-yl]propanoate Openeye Name: methyl 2-amino-3-[1-[5-(4-carbamimidoylphenyl)pyrazin-2-yl]imidazol-4-yl]propanoate CAS Name: 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-2-pyrazinyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[1-[5-(4-carbamimidoylphenyl)pyrazin-2-yl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[5-(4-amidinophenyl)pyrazin-2-yl]imidazol-4-yl]-2-amino-propionic acid methyl ester Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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