methyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclohexanecarboxylate CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclohexane-1-carboxylate Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]cyclohexanecarboxylic acid methyl ester Formula: C24H25FN4O3S MolecularWeight: 468.543703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

COC(=O)C1CCC(CC1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C24H25FN4O3S/c1-32-23(31)18-4-8-21(9-5-18)29-13-19(10-17-11-26-15-27-12-17)22(30)28-24(29)33-14-16-2-6-20(25)7-3-16/h2-3,6-7,11-13,15,18,21H,4-5,8-10,14H2,1H3