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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-dimethylpropyl)benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-(3-methylbutan-2-yl)benzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-(1,2-dimethylpropyl)benzamide Formula: C23H33ClN4OS MolecularWeight: 449.05232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN4OS/c1-6-11-28(12-7-2)21-14-20(24)26-23(27-21)30-15-18-9-8-10-19(13-18)22(29)25-17(5)16(3)4/h8-10,13-14,16-17H,6-7,11-12,15H2,1-5H3,(H,25,29)