diethyl 3-methyl-5-[2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]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)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N5O5S2/c1-5-34-24(32)19-14(3)20(25(33)35-6-2)37-23(19)29-18(31)13-36-22-17-12-26-30(16-10-8-7-9-11-16)21(17)27-15(4)28-22/h7-12H,5-6,13H2,1-4H3,(H,29,31)