N-[3,5-bis(2-methylphenoxy)phenyl]-6-bromanyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: N-[3,5-bis(2-methylphenoxy)phenyl]-6-bromanyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-[3,5-bis(2-methylphenoxy)phenyl]-6-bromo-pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-[3,5-bis(2-methylphenoxy)phenyl]-6-bromo-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3,5-bis(2-methylphenoxy)phenyl]-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-[3,5-bis(2-methylphenoxy)phenyl]-6-bromo-pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C27H21BrN4O3 MolecularWeight: 529.38464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=CC(=C2)NC(=O)C3=NN4C=C(C=NC4=C3)Br)OC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=CC(=C2)NC(=O)C3=NN4C=C(C=NC4=C3)Br)OC5=CC=CC=C5C

InChI

InChI=1S/C27H21BrN4O3/c1-17-7-3-5-9-24(17)34-21-11-20(12-22(13-21)35-25-10-6-4-8-18(25)2)30-27(33)23-14-26-29-15-19(28)16-32(26)31-23/h3-16H,1-2H3,(H,30,33)