diethyl 3-methyl-5-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H25N5O5S2 MolecularWeight: 539.6265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O5S2/c1-4-34-24(32)19-15(3)20(25(33)35-5-2)37-23(19)29-18(31)11-12-36-22-17-13-28-30(21(17)26-14-27-22)16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,29,31)