ethyl 5-methyl-2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C22H21N5O4S/c1-4-31-22(30)18-17(14-8-6-5-7-9-14)13(2)32-20(18)25-16(28)11-27-12-23-19-15(21(27)29)10-24-26(19)3/h5-10,12H,4,11H2,1-3H3,(H,25,28)