ethyl 4-[[2-(4-carbamimidoylphenyl)-4-ethoxy-pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[2-(4-carbamimidoylphenyl)-4-ethoxy-pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2-(4-carbamimidoylphenyl)-4-ethoxy-pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-4-ethoxy-5-pyrimidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-carbamimidoylphenyl)-4-ethoxypyrimidine-5-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-(4-amidinophenyl)-4-ethoxy-pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid ethyl ester Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1C(=O)N(C)C2CCC(CC2)C(=O)OCC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=NC(=NC=C1C(=O)N(C)C2CCC(CC2)C(=O)OCC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H31N5O4/c1-4-32-22-19(14-27-21(28-22)16-8-6-15(7-9-16)20(25)26)23(30)29(3)18-12-10-17(11-13-18)24(31)33-5-2/h6-9,14,17-18H,4-5,10-13H2,1-3H3,(H3,25,26)