methyl 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyrimidinyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(5-amidinopyrimidin-2-yl)isonipecotoyl]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)C2CCN(CC2)C3=NC=C(C=N3)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=C(C=N3)C(=N)N

InChI

InChI=1S/C19H28N6O3/c1-28-18(27)13-2-4-15(5-3-13)24-17(26)12-6-8-25(9-7-12)19-22-10-14(11-23-19)16(20)21/h10-13,15H,2-9H2,1H3,(H3,20,21)(H,24,26)