4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4OS/c1-16(2)24-22(28)19-12-10-17(11-13-19)15-29-23-25-20(14-21(26-23)27(3)4)18-8-6-5-7-9-18/h5-14,16H,15H2,1-4H3,(H,24,28)