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

Systemtic Name: 1-(3-ethanoylphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Openeye Name: 1-(3-acetylphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea CAS Name: 1-(3-acetylphenyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O2S/c1-13(28)15-5-3-7-17(9-15)26-21(29)25-16-6-2-4-14(8-16)11-30-20-18-10-24-27-19(18)22-12-23-20/h2-10,12H,11H2,1H3,(H2,25,26,29)(H,22,23,24,27)