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

Systemtic Name: methyl 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyrimidinyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[1-(5-amidinopyrimidin-2-yl)isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C19H29ClN6O3 MolecularWeight: 424.92496

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O3.ClH/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);1H