5-bromanyl-2-[(4-methylphenyl)methylsulfanyl]-N-pyridin-3-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-[(4-methylphenyl)methylsulfanyl]-N-pyridin-3-yl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-(p-tolylmethylsulfanyl)-N-(3-pyridyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-[(4-methylphenyl)methylthio]-N-(3-pyridinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-[(4-methylphenyl)methylsulfanyl]-N-pyridin-3-ylpyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(4-methylbenzyl)thio]-N-(3-pyridyl)pyrimidine-4-carboxamide Formula: C18H15BrN4OS MolecularWeight: 415.3069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CN=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CN=CC=C3)Br

InChI

InChI=1S/C18H15BrN4OS/c1-12-4-6-13(7-5-12)11-25-18-21-10-15(19)16(23-18)17(24)22-14-3-2-8-20-9-14/h2-10H,11H2,1H3,(H,22,24)