methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H28N6O3/c1-28-18(26)13-2-5-15(6-3-13)23-19(27)25-10-8-24(9-11-25)16-7-4-14(12-22-16)17(20)21/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H3,20,21)(H,23,27)