2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylcyclohexanone CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-cyclohexanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]cyclohexanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H16N4OS/c22-14-8-4-5-9-15(14)23-17-13-10-20-21(16(13)18-11-19-17)12-6-2-1-3-7-12/h1-3,6-7,10-11,15H,4-5,8-9H2