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

Systemtic Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-cyclohexenyl)-N-cyclopropyl-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(C3CC3)C4=CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(C3CC3)C4=CCCCC4

InChI

InChI=1S/C17H21N5OS/c1-21-16-14(9-20-21)17(19-11-18-16)24-10-15(23)22(13-7-8-13)12-5-3-2-4-6-12/h5,9,11,13H,2-4,6-8,10H2,1H3