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

Systemtic Name: methyl 2-azanyl-3-[2-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]-1H-imidazol-5-yl]propanoate Openeye Name: methyl 2-amino-3-[2-[5-(4-carbamimidoylphenyl)-4-methyl-pyrimidin-2-yl]-1H-imidazol-5-yl]propanoate CAS Name: 2-amino-3-[2-[5-(4-carbamimidoylphenyl)-4-methyl-2-pyrimidinyl]-1H-imidazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[2-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]-1H-imidazol-5-yl]propanoate Traditional Name: 3-[2-[5-(4-amidinophenyl)-4-methyl-pyrimidin-2-yl]-1H-imidazol-5-yl]-2-amino-propionic acid methyl ester Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)C3=NC=C(N3)CC(C(=O)OC)N

Isomeric SMILES

CC1=NC(=NC=C1C2=CC=C(C=C2)C(=N)N)C3=NC=C(N3)CC(C(=O)OC)N

InChI

InChI=1S/C19H21N7O2/c1-10-14(11-3-5-12(6-4-11)16(21)22)9-24-17(25-10)18-23-8-13(26-18)7-15(20)19(27)28-2/h3-6,8-9,15H,7,20H2,1-2H3,(H3,21,22)(H,23,26)