(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C23H28N4O3S/c1-14(2)17-10-9-15(3)11-19(17)30-20(28)13-31-23-25-21-18(22(29)26-23)12-24-27(21)16-7-5-4-6-8-16/h4-8,12,14-15,17,19,24H,9-11,13H2,1-3H3