methyl 3-[[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyrimidin-7-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyrimidin-7-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyrimidine-7-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-7-imidazo[1,2-a]pyrimidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyrimidine-7-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)imidazo[1,2-a]pyrimidine-7-carbonyl]amino]propionic acid methyl ester Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=NC2=NC(=CN2C=C1)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCNC(=O)C1=NC2=NC(=CN2C=C1)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H18N6O3/c1-27-15(25)6-8-21-17(26)13-7-9-24-10-14(23-18(24)22-13)11-2-4-12(5-3-11)16(19)20/h2-5,7,9-10H,6,8H2,1H3,(H3,19,20)(H,21,26)