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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C25H29ClN4OS/c1-3-14-30(15-4-2)23-16-22(26)28-25(29-23)32-18-20-10-12-21(13-11-20)24(31)27-17-19-8-6-5-7-9-19/h5-13,16H,3-4,14-15,17-18H2,1-2H3,(H,27,31)