4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-phenyl-benzamide

Systemtic Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-phenyl-benzamide Openeye Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-phenyl-benzamide CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-phenylbenzamide IUPAC Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-phenylbenzamide Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-phenyl-benzamide Formula: C29H22FN5O2S MolecularWeight: 523.580683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=C(C(=O)N=C3SCC4=CC=C(C=C4)F)CC5=CN=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=C(C(=O)N=C3SCC4=CC=C(C=C4)F)CC5=CN=CN=C5

InChI

InChI=1S/C29H22FN5O2S/c30-24-10-6-20(7-11-24)18-38-29-34-28(37)23(14-21-15-31-19-32-16-21)17-35(29)26-12-8-22(9-13-26)27(36)33-25-4-2-1-3-5-25/h1-13,15-17,19H,14,18H2,(H,33,36)