ethyl 3-[[2-[[(5-carbamimidoylpyrazin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(5-carbamimidoylpyrazin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[[(5-carbamimidoylpyrazin-2-yl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[[(5-carbamimidoyl-2-pyrazinyl)amino]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[(5-carbamimidoylpyrazin-2-yl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[[(5-amidinopyrazin-2-yl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C25H27N9O3 MolecularWeight: 501.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(N=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(N=C4)C(=N)N)C

InChI

InChI=1S/C25H27N9O3/c1-3-37-23(35)9-11-34(21-6-4-5-10-28-21)25(36)16-7-8-19-17(12-16)32-22(33(19)2)15-31-20-14-29-18(13-30-20)24(26)27/h4-8,10,12-14H,3,9,11,15H2,1-2H3,(H3,26,27)(H,30,31)