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

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C23H19N5OS MolecularWeight: 413.49486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H19N5OS/c1-14-20(17-10-6-7-11-19(17)27-14)21(29)15(2)30-23-18-12-26-28(22(18)24-13-25-23)16-8-4-3-5-9-16/h3-13,15,27H,1-2H3