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

Systemtic Name: 5-bromanyl-2-(phenylmethylsulfanyl)-N-pyridin-2-yl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(2-pyridyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-(phenylmethylthio)-N-(2-pyridinyl)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-pyridin-2-ylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(2-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=CC=N3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=N3)Br

InChI

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