1-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea

Systemtic Name: 1-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea Openeye Name: 1-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethyl]-3-(1,1,3,3-tetramethylbutyl)urea CAS Name: 1-[2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea IUPAC Name: 1-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea Traditional Name: 1-[2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]ethyl]-3-(1,1,3,3-tetramethylbutyl)urea Formula: C27H35FN6O2S MolecularWeight: 526.669203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)NCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)NCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C27H35FN6O2S/c1-26(2,3)17-27(4,5)33-24(36)31-10-11-34-15-21(12-20-13-29-18-30-14-20)23(35)32-25(34)37-16-19-6-8-22(28)9-7-19/h6-9,13-15,18H,10-12,16-17H2,1-5H3,(H2,31,33,36)