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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(phenylcarbamoyl)propanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(phenylcarbamoyl)propionamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C

InChI

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