3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-heptyl-N-methyl-benzamide

Systemtic Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-heptyl-N-methyl-benzamide Openeye Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-heptyl-N-methyl-benzamide CAS Name: 3-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-heptyl-N-methylbenzamide IUPAC Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-heptyl-N-methylbenzamide Traditional Name: 3-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-heptyl-N-methyl-benzamide Formula: C31H34FN5O2S MolecularWeight: 559.697363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C)C(=O)C1=CC(=CC=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CCCCCCCN(C)C(=O)C1=CC(=CC=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C31H34FN5O2S/c1-3-4-5-6-7-15-36(2)30(39)25-9-8-10-28(17-25)37-20-26(16-24-18-33-22-34-19-24)29(38)35-31(37)40-21-23-11-13-27(32)14-12-23/h8-14,17-20,22H,3-7,15-16,21H2,1-2H3