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

Systemtic Name: ethyl 3-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C21H19N5O4S/c1-3-30-21(29)18-15(9-16(31-18)13-7-5-4-6-8-13)24-17(27)11-26-12-22-19-14(20(26)28)10-23-25(19)2/h4-10,12H,3,11H2,1-2H3,(H,24,27)