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

Systemtic Name: methyl 4-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]amino]cyclohexanecarboxylate CAS Name: 4-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[5-(4-amidinophenyl)pyrimidin-2-yl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c1-26-18(25)14-6-8-16(9-7-14)24-19-22-10-15(11-23-19)12-2-4-13(5-3-12)17(20)21/h2-5,10-11,14,16H,6-9H2,1H3,(H3,20,21)(H,22,23,24)