(2S)-N-aminocarbonyl-3-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: (2S)-N-aminocarbonyl-3-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: (2S)-N-carbamoyl-3-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanamide CAS Name: (2S)-N-carbamoyl-3-methyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanamide IUPAC Name: (2S)-N-carbamoyl-3-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanamide Traditional Name: (2S)-N-carbamoyl-3-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyramide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H18N6O2S/c1-10(2)13(15(24)22-17(18)25)26-16-12-8-21-23(14(12)19-9-20-16)11-6-4-3-5-7-11/h3-10,13H,1-2H3,(H3,18,22,24,25)/t13-/m0/s1