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

Systemtic Name: methyl 3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-yl]propanoate Openeye Name: methyl 3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-yl]propanoate CAS Name: 3-[1-[5-(4-carbamimidoylphenyl)-4-methyl-2-pyrimidinyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[5-(4-amidinophenyl)-4-methyl-pyrimidin-2-yl]imidazol-4-yl]propionic acid methyl ester Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)N3C=C(N=C3)CCC(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)N3C=C(N=C3)CCC(=O)OC

InChI

InChI=1S/C19H20N6O2/c1-12-16(13-3-5-14(6-4-13)18(20)21)9-22-19(24-12)25-10-15(23-11-25)7-8-17(26)27-2/h3-6,9-11H,7-8H2,1-2H3,(H3,20,21)