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

Systemtic Name: 1-(4-methylsulfanylphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Openeye Name: 1-(4-methylsulfanylphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea CAS Name: 1-[4-(methylthio)phenyl]-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea IUPAC Name: 1-(4-methylsulfanylphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Traditional Name: 1-[4-(methylthio)phenyl]-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea Formula: C20H18N6OS2 MolecularWeight: 422.52652

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H18N6OS2/c1-28-16-7-5-14(6-8-16)24-20(27)25-15-4-2-3-13(9-15)11-29-19-17-10-23-26-18(17)21-12-22-19/h2-10,12H,11H2,1H3,(H2,24,25,27)(H,21,22,23,26)