3,3-dimethyl-1-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]butan-2-one Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C(C)(C)C

InChI

InChI=1S/C18H20N4OS/c1-12-5-7-13(8-6-12)22-16-14(9-21-22)17(20-11-19-16)24-10-15(23)18(2,3)4/h5-9,11H,10H2,1-4H3