N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C19H20FN5O2S MolecularWeight: 401.457803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN3C(=CC=N3)N=C2)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN3C(=CC=N3)N=C2)F

InChI

InChI=1S/C19H20FN5O2S/c1-2-3-4-9-27-16-6-5-14(10-15(16)20)23-19(28)24-18(26)13-11-21-17-7-8-22-25(17)12-13/h5-8,10-12H,2-4,9H2,1H3,(H2,23,24,26,28)