3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(CC)CC

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(CC)CC

InChI

InChI=1S/C21H29ClN4OS/c1-4-7-8-12-23-20(27)17-11-9-10-16(13-17)15-28-21-24-18(22)14-19(25-21)26(5-2)6-3/h9-11,13-14H,4-8,12,15H2,1-3H3,(H,23,27)