5-bromanyl-2-(phenylmethylsulfanyl)-N-pyridin-4-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-(phenylmethylsulfanyl)-N-pyridin-4-yl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(4-pyridyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-(phenylmethylthio)-N-pyridin-4-yl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-pyridin-4-ylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(4-pyridyl)pyrimidine-4-carboxamide Formula: C17H13BrN4OS MolecularWeight: 401.28032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4OS/c18-14-10-20-17(24-11-12-4-2-1-3-5-12)22-15(14)16(23)21-13-6-8-19-9-7-13/h1-10H,11H2,(H,19,21,23)