(2S)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: (2S)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2S)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H21N7OS/c1-13(2)26-17(9-10-23-26)25-19(28)14(3)29-20-16-11-24-27(18(16)21-12-22-20)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,25,28)/t14-/m0/s1