2,7-dimethyl-N-[(6-pentoxypyridin-3-yl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 2,7-dimethyl-N-[(6-pentoxypyridin-3-yl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 2,7-dimethyl-N-[(6-pentoxy-3-pyridyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2,7-dimethyl-N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 2,7-dimethyl-N-[(6-pentoxypyridin-3-yl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=C(N3C(=CC(=N3)C)N=C2)C

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=C(N3C(=CC(=N3)C)N=C2)C

InChI

InChI=1S/C20H24N6O2S/c1-4-5-6-9-28-18-8-7-15(11-22-18)23-20(29)24-19(27)16-12-21-17-10-13(2)25-26(17)14(16)3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,23,24,27,29)