4-[[3-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-1,2,4-triazin-5-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-1,2,4-triazin-5-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(4-carbamimidoylphenyl)-6-oxo-1H-1,2,4-triazine-5-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[3-(4-carbamimidoylphenyl)-6-oxo-1H-1,2,4-triazin-5-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(4-carbamimidoylphenyl)-6-oxo-1H-1,2,4-triazine-5-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(4-amidinophenyl)-6-keto-1H-1,2,4-triazine-5-carbonyl]amino]cyclohexanecarboxylic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2=NC(=NNC2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2=NC(=NNC2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H20N6O4/c19-14(20)9-1-3-10(4-2-9)15-22-13(17(26)24-23-15)16(25)21-12-7-5-11(6-8-12)18(27)28/h1-4,11-12H,5-8H2,(H3,19,20)(H,21,25)(H,24,26)(H,27,28)