cyclohexyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetic acid cyclohexyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O2S/c24-17(25-15-9-5-2-6-10-15)12-26-19-16-11-22-23(18(16)20-13-21-19)14-7-3-1-4-8-14/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12H2