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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C

InChI

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