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

Systemtic Name: 4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Openeye Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1-methyl-3-phenyl-propyl)benzamide CAS Name: 4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-(4-phenylbutan-2-yl)benzamide IUPAC Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Traditional Name: 4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-(1-methyl-3-phenyl-propyl)benzamide Formula: C26H31ClN4OS MolecularWeight: 483.06854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4OS/c1-4-31(5-2)24-17-23(27)29-26(30-24)33-18-21-13-15-22(16-14-21)25(32)28-19(3)11-12-20-9-7-6-8-10-20/h6-10,13-17,19H,4-5,11-12,18H2,1-3H3,(H,28,32)