ethyl 3-methyl-5-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N5O3S2/c1-3-29-21(28)18-13(2)9-17(31-18)25-16(27)11-30-20-15-10-24-26(19(15)22-12-23-20)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,25,27)