3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-27(2)20-14-19(23)25-22(26-20)29-15-17-9-6-10-18(13-17)21(28)24-12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,28)