1-[6-(4-methylphenyl)pyridazin-3-yl]-4-methylsulfanyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-[6-(4-methylphenyl)pyridazin-3-yl]-4-methylsulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-methylsulfanyl-1-[6-(p-tolyl)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-[6-(4-methylphenyl)-3-pyridazinyl]-4-(methylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[6-(4-methylphenyl)pyridazin-3-yl]-4-methylsulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(methylthio)-1-[6-(p-tolyl)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidine Formula: C17H14N6S MolecularWeight: 334.39826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3C4=C(C=N3)C(=NC=N4)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3C4=C(C=N3)C(=NC=N4)SC

InChI

InChI=1S/C17H14N6S/c1-11-3-5-12(6-4-11)14-7-8-15(22-21-14)23-16-13(9-20-23)17(24-2)19-10-18-16/h3-10H,1-2H3