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

Systemtic Name: propyl 2-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-2-10-26-19(25)15-12-6-3-4-7-14(12)27-18(15)22-17(24)13-11-21-23-9-5-8-20-16(13)23/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,22,24)