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

Systemtic Name: ethyl 5-ethyl-2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C(=O)OCC

InChI

InChI=1S/C18H21N5O4S/c1-4-11-8-12(18(26)27-5-2)16(28-11)21-14(24)6-7-23-10-19-15-13(17(23)25)9-20-22(15)3/h8-10H,4-7H2,1-3H3,(H,21,24)