1-(1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H17N5OS/c1-14(20(28)17-11-23-19-10-6-5-9-16(17)19)29-22-18-12-26-27(21(18)24-13-25-22)15-7-3-2-4-8-15/h2-14,23H,1H3