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

Systemtic Name: propan-2-yl 4-[[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: isopropyl 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid isopropyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O3/c1-14(2)31-23(30)17-8-10-19(11-9-17)28(3)22(29)18-12-26-21(27-13-18)16-6-4-15(5-7-16)20(24)25/h4-7,12-14,17,19H,8-11H2,1-3H3,(H3,24,25)