2-(cyclohexen-1-yl)-2-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide

Systemtic Name: 2-(cyclohexen-1-yl)-2-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide Openeye Name: 2-(cyclohexen-1-yl)-2-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide CAS Name: 2-(1-cyclohexenyl)-2-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide IUPAC Name: 2-(cyclohexen-1-yl)-2-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-(cyclohexen-1-yl)-2-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(=O)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CCC(=CC1)C(=O)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H19N5O2S/c26-17(14-6-2-1-3-7-14)19(27)24-15-8-4-5-13(9-15)11-28-20-16-10-23-25-18(16)21-12-22-20/h4-6,8-10,12H,1-3,7,11H2,(H,24,27)(H,21,22,23,25)