N-[3-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]phenyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[3-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]phenyl]pyrrolidine-2-carboxamide Openeye Name: N-[3-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]phenyl]pyrrolidine-2-carboxamide CAS Name: N-[3-[[4-[(3-bromophenyl)thio]-2-pyrimidinyl]amino]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[3-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]phenyl]pyrrolidine-2-carboxamide Traditional Name: N-[3-[[4-[(3-bromophenyl)thio]pyrimidin-2-yl]amino]phenyl]pyrrolidine-2-carboxamide Formula: C21H20BrN5OS MolecularWeight: 470.3854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)SC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(NC1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)SC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN5OS/c22-14-4-1-7-17(12-14)29-19-9-11-24-21(27-19)26-16-6-2-5-15(13-16)25-20(28)18-8-3-10-23-18/h1-2,4-7,9,11-13,18,23H,3,8,10H2,(H,25,28)(H,24,26,27)