4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide Openeye Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide CAS Name: 4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-(3,4-dimethylphenyl)benzamide IUPAC Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide Traditional Name: 4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-(3,4-dimethylphenyl)benzamide Formula: C24H27ClN4OS MolecularWeight: 455.01538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4OS/c1-5-29(6-2)22-14-21(25)27-24(28-22)31-15-18-8-10-19(11-9-18)23(30)26-20-12-7-16(3)17(4)13-20/h7-14H,5-6,15H2,1-4H3,(H,26,30)