ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyrimidin-4-yl-amino]propanoate hydrochloride

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyrimidin-4-yl-amino]propanoate hydrochloride Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]-pyrimidin-4-yl-amino]propanoate hydrochloride CAS Name: 3-[[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(4-pyrimidinyl)amino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazole-5-carbonyl]-pyrimidin-4-ylamino]propanoate hydrochloride Traditional Name: 3-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]-(4-pyrimidyl)amino]propionic acid ethyl ester hydrochloride Formula: C26H28ClN7O4 MolecularWeight: 537.99802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=NC=NC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CCN(C1=NC=NC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C26H27N7O4.ClH/c1-3-36-24(34)11-13-33(22-10-12-29-16-30-22)26(35)18-6-9-21-20(14-18)31-23(32(21)2)15-37-19-7-4-17(5-8-19)25(27)28;/h4-10,12,14,16H,3,11,13,15H2,1-2H3,(H3,27,28);1H