N-[3-cyano-4-[2,5,6-tris(bromanyl)pyrimidin-4-yl]sulfanyl-phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[3-cyano-4-[2,5,6-tris(bromanyl)pyrimidin-4-yl]sulfanyl-phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-cyano-4-(2,5,6-tribromopyrimidin-4-yl)sulfanyl-phenyl]pyrrolidine-1-carboxamide CAS Name: N-[3-cyano-4-[(2,5,6-tribromo-4-pyrimidinyl)thio]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-cyano-4-(2,5,6-tribromopyrimidin-4-yl)sulfanylphenyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-cyano-4-[(2,5,6-tribromopyrimidin-4-yl)thio]phenyl]pyrrolidine-1-carboxamide Formula: C16H12Br3N5OS MolecularWeight: 562.07638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=CC(=C(C=C2)SC3=C(C(=NC(=N3)Br)Br)Br)C#N

Isomeric SMILES

C1CCN(C1)C(=O)NC2=CC(=C(C=C2)SC3=C(C(=NC(=N3)Br)Br)Br)C#N

InChI

InChI=1S/C16H12Br3N5OS/c17-12-13(18)22-15(19)23-14(12)26-11-4-3-10(7-9(11)8-20)21-16(25)24-5-1-2-6-24/h3-4,7H,1-2,5-6H2,(H,21,25)