methyl 4-[[2-(4-carbamimidoylphenyl)-4-methoxy-pyrimidin-5-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[2-(4-carbamimidoylphenyl)-4-methoxy-pyrimidin-5-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[2-(4-carbamimidoylphenyl)-4-methoxy-pyrimidine-5-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-4-methoxy-5-pyrimidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(4-carbamimidoylphenyl)-4-methoxypyrimidine-5-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-(4-amidinophenyl)-4-methoxy-pyrimidine-5-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-29-20-16(19(27)25-15-9-7-14(8-10-15)21(28)30-2)11-24-18(26-20)13-5-3-12(4-6-13)17(22)23/h3-6,11,14-15H,7-10H2,1-2H3,(H3,22,23)(H,25,27)