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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NCCCOCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NCCCOCC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2S/c1-23-17-15(10-22-23)18(21-13-20-17)26-12-16(24)19-8-5-9-25-11-14-6-3-2-4-7-14/h2-4,6-7,10,13H,5,8-9,11-12H2,1H3,(H,19,24)