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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-propylbenzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-propylbenzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-propyl-benzamide Formula: C21H29ClN4OS MolecularWeight: 420.99916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4OS/c1-4-10-23-20(27)17-9-7-8-16(13-17)15-28-21-24-18(22)14-19(25-21)26(11-5-2)12-6-3/h7-9,13-14H,4-6,10-12,15H2,1-3H3,(H,23,27)