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

Systemtic Name: N-(methylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(methylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(methylcarbamoyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(methylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(methylcarbamoyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O2S/c1-10(14(23)21-16(24)17-2)25-15-12-8-20-22(13(12)18-9-19-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,21,23,24)