N-[(5-bromanylthiophen-3-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[(5-bromanylthiophen-3-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[(5-bromo-3-thienyl)methyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[(5-bromo-3-thiophenyl)methyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[(5-bromothiophen-3-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[(5-bromo-3-thienyl)methyl]-3-(2-pyrimidylamino)benzamide Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)NCC3=CSC(=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)NCC3=CSC(=C3)Br

InChI

InChI=1S/C16H13BrN4OS/c17-14-7-11(10-23-14)9-20-15(22)12-3-1-4-13(8-12)21-16-18-5-2-6-19-16/h1-8,10H,9H2,(H,20,22)(H,18,19,21)