4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid dihydrochloride

Systemtic Name: 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid dihydrochloride Openeye Name: 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid dihydrochloride CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyrimidinyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid dihydrochloride IUPAC Name: 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid dihydrochloride Traditional Name: 4-[[1-(5-amidinopyrimidin-2-yl)isonipecotoyl]amino]cyclohexanecarboxylic acid dihydrochloride Formula: C18H28Cl2N6O3 MolecularWeight: 447.35932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=NC=C(C=N3)C(=N)N.Cl.Cl

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=NC=C(C=N3)C(=N)N.Cl.Cl

InChI

InChI=1S/C18H26N6O3.2ClH/c19-15(20)13-9-21-18(22-10-13)24-7-5-11(6-8-24)16(25)23-14-3-1-12(2-4-14)17(26)27;;/h9-12,14H,1-8H2,(H3,19,20)(H,23,25)(H,26,27);2*1H