ethyl 4-chloranyl-5-(2,5-dimethyl-7-pentan-3-yl-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxylate

Systemtic Name: ethyl 4-chloranyl-5-(2,5-dimethyl-7-pentan-3-yl-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxylate Openeye Name: ethyl 4-chloro-5-[7-(1-ethylpropyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxylate CAS Name: 4-chloro-5-(2,5-dimethyl-7-pentan-3-yl-3-pyrazolo[1,5-a]pyrimidinyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxylate Traditional Name: 4-chloro-5-[7-(1-ethylpropyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxylic acid ethyl ester Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC(=NC2=C(C(=NN12)C)C3=C(C=C(S3)C(=O)OCC)Cl)C

Isomeric SMILES

CCC(CC)C1=CC(=NC2=C(C(=NN12)C)C3=C(C=C(S3)C(=O)OCC)Cl)C

InChI

InChI=1S/C20H24ClN3O2S/c1-6-13(7-2)15-9-11(4)22-19-17(12(5)23-24(15)19)18-14(21)10-16(27-18)20(25)26-8-3/h9-10,13H,6-8H2,1-5H3