ethyl 3-[2-[6-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]ethanoylamino]propanoate

Systemtic Name: ethyl 3-[2-[6-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]ethanoylamino]propanoate Openeye Name: ethyl 3-[[2-[6-(4-carbamimidoylphenyl)-2-oxo-hexahydropyrimidin-1-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[6-(4-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[6-(4-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[6-(4-amidinophenyl)-2-keto-hexahydropyrimidin-1-yl]acetyl]amino]propionic acid ethyl ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CN1C(CCNC1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CCNC(=O)CN1C(CCNC1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H25N5O4/c1-2-27-16(25)8-10-21-15(24)11-23-14(7-9-22-18(23)26)12-3-5-13(6-4-12)17(19)20/h3-6,14H,2,7-11H2,1H3,(H3,19,20)(H,21,24)(H,22,26)