3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS/c1-4-23-21(27)18-12-8-9-16(13-18)15-28-22-24-19(14-20(25-22)26(2)3)17-10-6-5-7-11-17/h5-14H,4,15H2,1-3H3,(H,23,27)