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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-(3,4-dimethylphenyl)benzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-(3,4-dimethylphenyl)benzamide Formula: C26H31ClN4OS MolecularWeight: 483.06854

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4OS/c1-5-12-31(13-6-2)24-16-23(27)29-26(30-24)33-17-20-8-7-9-21(15-20)25(32)28-22-11-10-18(3)19(4)14-22/h7-11,14-16H,5-6,12-13,17H2,1-4H3,(H,28,32)