ethyl 5-ethyl-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C22H21N5O3S2/c1-3-15-10-16(22(29)30-4-2)21(32-15)26-18(28)12-31-20-17-11-25-27(19(17)23-13-24-20)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,26,28)