N-(cyclohexen-1-yl)-N-ethyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-ethyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-ethyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(1-cyclohexenyl)-N-ethyl-2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-ethyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(cyclohexen-1-yl)-N-ethyl-2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5OS/c1-2-26(16-6-4-3-5-7-16)19(28)13-29-21-18-12-25-27(20(18)23-14-24-21)17-10-8-15(22)9-11-17/h6,8-12,14H,2-5,7,13H2,1H3