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

Systemtic Name: N-(3-methoxypropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-methoxypropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-methoxypropyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-methoxypropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-methoxypropyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H19N5O2S/c1-24-9-5-8-18-15(23)11-25-17-14-10-21-22(16(14)19-12-20-17)13-6-3-2-4-7-13/h2-4,6-7,10,12H,5,8-9,11H2,1H3,(H,18,23)