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

Systemtic Name: 4-[[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-25(16-8-6-14(7-9-16)20(27)28)19(26)15-10-23-18(24-11-15)13-4-2-12(3-5-13)17(21)22/h2-5,10-11,14,16H,6-9H2,1H3,(H3,21,22)(H,27,28)