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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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