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

Systemtic Name: 4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 4-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 4-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-hexyl-benzamide Formula: C24H35ClN4OS MolecularWeight: 463.0789

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CCC)CCC

Isomeric SMILES

CCCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CCC)CCC

InChI

InChI=1S/C24H35ClN4OS/c1-4-7-8-9-14-26-23(30)20-12-10-19(11-13-20)18-31-24-27-21(25)17-22(28-24)29(15-5-2)16-6-3/h10-13,17H,4-9,14-16,18H2,1-3H3,(H,26,30)