4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-quinolin-6-yl-benzamide

Systemtic Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-quinolin-6-yl-benzamide Openeye Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-(6-quinolyl)benzamide CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-(6-quinolinyl)benzamide IUPAC Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-quinolin-6-ylbenzamide Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-(6-quinolyl)benzamide Formula: C32H23FN6O2S MolecularWeight: 574.627423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C=C(C(=O)N=C4SCC5=CC=C(C=C5)F)CC6=CN=CN=C6)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C=C(C(=O)N=C4SCC5=CC=C(C=C5)F)CC6=CN=CN=C6)N=C1

InChI

InChI=1S/C32H23FN6O2S/c33-26-7-3-21(4-8-26)19-42-32-38-31(41)25(14-22-16-34-20-35-17-22)18-39(32)28-10-5-23(6-11-28)30(40)37-27-9-12-29-24(15-27)2-1-13-36-29/h1-13,15-18,20H,14,19H2,(H,37,40)