4-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylamino]butanoic acid Openeye Name: 4-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]amino]butanoic acid CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]amino]butanoic acid Traditional Name: 4-[[5-(4-amidinophenyl)pyrimidine-2-carbonyl]amino]butyric acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N=C2)C(=O)NCCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2)C(=O)NCCCC(=O)O)C(=N)N

InChI

InChI=1S/C16H17N5O3/c17-14(18)11-5-3-10(4-6-11)12-8-20-15(21-9-12)16(24)19-7-1-2-13(22)23/h3-6,8-9H,1-2,7H2,(H3,17,18)(H,19,24)(H,22,23)