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

Systemtic Name: ethyl 3-methyl-5-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=NC3=C2C=NN3C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=NC3=C2C=NN3C)C

InChI

InChI=1S/C16H17N5O3S2/c1-4-24-16(23)13-9(2)5-12(26-13)20-11(22)7-25-15-10-6-19-21(3)14(10)17-8-18-15/h5-6,8H,4,7H2,1-3H3,(H,20,22)