methyl 4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]carbonylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]carbonylamino]-2-fluoranyl-benzoate Openeye Name: methyl 4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluoro-benzoate CAS Name: 4-[[[6-[cyclohexyl(cyclopropylmethyl)amino]-4-pyrimidinyl]-oxomethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoate Traditional Name: 4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C23H27FN4O3 MolecularWeight: 426.483883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC(=NC=N2)N(CC3CC3)C4CCCCC4)F

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC(=NC=N2)N(CC3CC3)C4CCCCC4)F

InChI

InChI=1S/C23H27FN4O3/c1-31-23(30)18-10-9-16(11-19(18)24)27-22(29)20-12-21(26-14-25-20)28(13-15-7-8-15)17-5-3-2-4-6-17/h9-12,14-15,17H,2-8,13H2,1H3,(H,27,29)