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

Systemtic Name: methyl 3-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H15N5O3S2 MolecularWeight: 425.4841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O3S2/c1-27-19(26)16-14(7-8-28-16)23-15(25)10-29-18-13-9-22-24(17(13)20-11-21-18)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,23,25)