3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C24H26ClFN4OS MolecularWeight: 473.005843

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C24H26ClFN4OS/c1-3-12-30(13-4-2)22-15-21(25)28-24(29-22)32-16-17-6-5-7-18(14-17)23(31)27-20-10-8-19(26)9-11-20/h5-11,14-15H,3-4,12-13,16H2,1-2H3,(H,27,31)