methyl 3-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenoxy]ethanoylamino]propanoate

Systemtic Name: methyl 3-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenoxy]ethanoylamino]propanoate Openeye Name: methyl 3-[[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenoxy]acetyl]amino]propanoate CAS Name: 3-[[2-[4-(5-carbamimidoyl-2-pyrimidinyl)phenoxy]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenoxy]acetyl]amino]propanoate Traditional Name: 3-[[2-[4-(5-amidinopyrimidin-2-yl)phenoxy]acetyl]amino]propionic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)COC1=CC=C(C=C1)C2=NC=C(C=N2)C(=N)N

Isomeric SMILES

COC(=O)CCNC(=O)COC1=CC=C(C=C1)C2=NC=C(C=N2)C(=N)N

InChI

InChI=1S/C17H19N5O4/c1-25-15(24)6-7-20-14(23)10-26-13-4-2-11(3-5-13)17-21-8-12(9-22-17)16(18)19/h2-5,8-9H,6-7,10H2,1H3,(H3,18,19)(H,20,23)