N-[1-(3-benzamidophenyl)ethyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[1-(3-benzamidophenyl)ethyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[1-(3-benzamidophenyl)ethyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[1-(3-benzamidophenyl)ethyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[1-(3-benzamidophenyl)ethyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[1-(3-benzamidophenyl)ethyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C21H19ClN4O2S/c1-13(24-20(28)18-17(22)12-23-21(26-18)29-2)15-9-6-10-16(11-15)25-19(27)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,24,28)(H,25,27)