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

Systemtic Name: 4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 4-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 4-[[[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=C(C=C2)C(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

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