2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H19N5OS/c1-13-9-16(14(2)24(13)3)18(26)11-27-20-17-10-23-25(19(17)21-12-22-20)15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3