1-(2-phenylcyclopropyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea

Systemtic Name: 1-(2-phenylcyclopropyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Openeye Name: 1-(2-phenylcyclopropyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea CAS Name: 1-(2-phenylcyclopropyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea IUPAC Name: 1-(2-phenylcyclopropyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Traditional Name: 1-(2-phenylcyclopropyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1NC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)C5=CC=CC=C5

Isomeric SMILES

C1C(C1NC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N6OS/c29-22(27-19-10-17(19)15-6-2-1-3-7-15)26-16-8-4-5-14(9-16)12-30-21-18-11-25-28-20(18)23-13-24-21/h1-9,11,13,17,19H,10,12H2,(H2,26,27,29)(H,23,24,25,28)