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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-methylphenyl)benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(p-tolyl)benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-(4-methylphenyl)benzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-methylphenyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-(p-tolyl)benzamide Formula: C25H29ClN4OS MolecularWeight: 469.04196

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4OS/c1-4-13-30(14-5-2)23-16-22(26)28-25(29-23)32-17-19-7-6-8-20(15-19)24(31)27-21-11-9-18(3)10-12-21/h6-12,15-16H,4-5,13-14,17H2,1-3H3,(H,27,31)