4-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-(4-bromophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]methyl]benzonitrile Formula: C19H12BrN5S MolecularWeight: 422.30108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C19H12BrN5S/c20-15-5-7-16(8-6-15)25-18-17(10-24-25)19(23-12-22-18)26-11-14-3-1-13(9-21)2-4-14/h1-8,10,12H,11H2