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

Systemtic Name: cyclohexyl 4-[[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: cyclohexyl 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid cyclohexyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC2CCCCC2)C(=O)C3=CN=C(N=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC2CCCCC2)C(=O)C3=CN=C(N=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H33N5O3/c1-31(21-13-11-19(12-14-21)26(33)34-22-5-3-2-4-6-22)25(32)20-15-29-24(30-16-20)18-9-7-17(8-10-18)23(27)28/h7-10,15-16,19,21-22H,2-6,11-14H2,1H3,(H3,27,28)