4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-(3-pyrimidin-2-ylsulfanylpropoxy)quinoline

Systemtic Name: 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-(3-pyrimidin-2-ylsulfanylpropoxy)quinoline Openeye Name: 4-[2-(2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-7-(3-pyrimidin-2-ylsulfanylpropoxy)quinoline CAS Name: 4-[2-(2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-7-[3-(2-pyrimidinylthio)propoxy]quinoline IUPAC Name: 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-(3-pyrimidin-2-ylsulfanylpropoxy)quinoline Traditional Name: 4-[2-(2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-7-[3-(2-pyrimidylthio)propoxy]quinoline Formula: C27H24N6OS MolecularWeight: 480.58406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCCSC6=NC=CC=N6

Isomeric SMILES

C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCCSC6=NC=CC=N6

InChI

InChI=1S/C27H24N6OS/c1-2-11-28-22(6-1)26-25(24-7-3-15-33(24)32-26)21-10-14-29-23-18-19(8-9-20(21)23)34-16-5-17-35-27-30-12-4-13-31-27/h1-2,4,6,8-14,18H,3,5,7,15-17H2