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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1-methyl-3-phenyl-propyl)benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-(4-phenylbutan-2-yl)benzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-(1-methyl-3-phenyl-propyl)benzamide Formula: C28H35ClN4OS MolecularWeight: 511.1217

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C28H35ClN4OS/c1-4-16-33(17-5-2)26-19-25(29)31-28(32-26)35-20-23-12-9-13-24(18-23)27(34)30-21(3)14-15-22-10-7-6-8-11-22/h6-13,18-19,21H,4-5,14-17,20H2,1-3H3,(H,30,34)