ethyl 2-[2-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H23N5O3S/c1-4-28-17(27)11-21-16(26)12-29-20-15-10-22-25(14-8-6-5-7-9-14)19(15)23-18(24-20)13(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,21,26)