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

Systemtic Name: methyl 4-[[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H25N5O3/c1-26(17-9-7-15(8-10-17)21(28)29-2)20(27)16-11-24-19(25-12-16)14-5-3-13(4-6-14)18(22)23/h3-6,11-12,15,17H,7-10H2,1-2H3,(H3,22,23)