1-(4-phenoxyphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea

Systemtic Name: 1-(4-phenoxyphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Openeye Name: 1-(4-phenoxyphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea CAS Name: 1-(4-phenoxyphenyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea IUPAC Name: 1-(4-phenoxyphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Traditional Name: 1-(4-phenoxyphenyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C25H20N6O2S/c32-25(29-18-9-11-21(12-10-18)33-20-7-2-1-3-8-20)30-19-6-4-5-17(13-19)15-34-24-22-14-28-31-23(22)26-16-27-24/h1-14,16H,15H2,(H2,29,30,32)(H,26,27,28,31)