1-(2-methoxyphenyl)-4-propan-2-yl-7-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyridazine

Systemtic Name: 1-(2-methoxyphenyl)-4-propan-2-yl-7-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyridazine Openeye Name: 4-isopropyl-1-(2-methoxyphenyl)-7-(2-pyridylmethylsulfanyl)pyrazolo[3,4-d]pyridazine CAS Name: 1-(2-methoxyphenyl)-4-propan-2-yl-7-(2-pyridinylmethylthio)pyrazolo[3,4-d]pyridazine IUPAC Name: 1-(2-methoxyphenyl)-4-propan-2-yl-7-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyridazine Traditional Name: 4-isopropyl-1-(2-methoxyphenyl)-7-(2-pyridylmethylthio)pyrazolo[3,4-d]pyridazine Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC4=CC=CC=N4

Isomeric SMILES

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC4=CC=CC=N4

InChI

InChI=1S/C21H21N5OS/c1-14(2)19-16-12-23-26(17-9-4-5-10-18(17)27-3)20(16)21(25-24-19)28-13-15-8-6-7-11-22-15/h4-12,14H,13H2,1-3H3