2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-naphthalen-2-yl-ethanone Openeye Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(2-naphthyl)ethanone CAS Name: 2-[[1-(4-bromophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-naphthalen-2-ylethanone Traditional Name: 2-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-(2-naphthyl)ethanone Formula: C23H15BrN4OS MolecularWeight: 475.3604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H15BrN4OS/c24-18-7-9-19(10-8-18)28-22-20(12-27-28)23(26-14-25-22)30-13-21(29)17-6-5-15-3-1-2-4-16(15)11-17/h1-12,14H,13H2