1-(1-phenyl-4-phenylazanyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropan-2-one

Systemtic Name: 1-(1-phenyl-4-phenylazanyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropan-2-one Openeye Name: 1-(4-anilino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropan-2-one CAS Name: 1-[(4-anilino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]-2-propanone IUPAC Name: 1-(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropan-2-one Traditional Name: 1-[(4-anilino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetone Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4

InChI

InChI=1S/C20H17N5OS/c1-14(26)13-27-20-23-18(22-15-8-4-2-5-9-15)17-12-21-25(19(17)24-20)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,22,23,24)