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

Systemtic Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: N-[(6-pentoxy-3-pyridyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O2S/c1-2-3-4-9-26-16-6-5-14(11-20-16)22-18(27)23-17(25)13-10-19-15-7-8-21-24(15)12-13/h5-8,10-12H,2-4,9H2,1H3,(H2,22,23,25,27)