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

Systemtic Name: 4-[[2-(4-carbamimidoylphenyl)-4-methoxy-pyrimidin-5-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-carbamimidoylphenyl)-4-methoxy-pyrimidine-5-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-4-methoxy-5-pyrimidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-carbamimidoylphenyl)-4-methoxypyrimidine-5-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-amidinophenyl)-4-methoxy-pyrimidine-5-carbonyl]amino]cyclohexanecarboxylic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C(=O)NC2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=NC(=NC=C1C(=O)NC2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H23N5O4/c1-29-19-15(18(26)24-14-8-6-13(7-9-14)20(27)28)10-23-17(25-19)12-4-2-11(3-5-12)16(21)22/h2-5,10,13-14H,6-9H2,1H3,(H3,21,22)(H,24,26)(H,27,28)