dimethyl 3-methyl-5-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17N5O5S2 MolecularWeight: 435.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=C2C=NN3C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=C2C=NN3C)C(=O)OC

InChI

InChI=1S/C17H17N5O5S2/c1-8-11(16(24)26-3)15(29-12(8)17(25)27-4)21-10(23)6-28-14-9-5-20-22(2)13(9)18-7-19-14/h5,7H,6H2,1-4H3,(H,21,23)