butan-2-yl 2-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: butan-2-yl 2-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(3-pyrazolo[1,5-a]pyrimidinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C4N=CC=CN4N=C3

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C4N=CC=CN4N=C3

InChI

InChI=1S/C20H22N4O3S/c1-3-12(2)27-20(26)16-13-7-4-5-8-15(13)28-19(16)23-18(25)14-11-22-24-10-6-9-21-17(14)24/h6,9-12H,3-5,7-8H2,1-2H3,(H,23,25)