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

Systemtic Name: ethyl 2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C15H15N5O3S2 MolecularWeight: 377.4413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C15H15N5O3S2/c1-3-23-15(22)9-4-5-24-14(9)19-11(21)7-25-13-10-6-18-20(2)12(10)16-8-17-13/h4-6,8H,3,7H2,1-2H3,(H,19,21)