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

Systemtic Name: 1-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[5-(4-amidinophenyl)pyrimidin-2-yl]amino]cyclohexanecarboxylic acid Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H21N5O2/c19-15(20)13-6-4-12(5-7-13)14-10-21-17(22-11-14)23-18(16(24)25)8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H3,19,20)(H,24,25)(H,21,22,23)