methyl 3-[[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyrimidin-6-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyrimidin-6-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyrimidine-6-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-6-imidazo[1,2-a]pyrimidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyrimidine-6-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)imidazo[1,2-a]pyrimidine-6-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=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCNC(=O)C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)C(=N)N

InChI

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