2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylphenyl)ethanone Openeye Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(p-tolyl)ethanone CAS Name: 2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylphenyl)ethanone Traditional Name: 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-(p-tolyl)ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18N4O2S/c1-14-3-5-15(6-4-14)19(26)12-28-21-18-11-24-25(20(18)22-13-23-21)16-7-9-17(27-2)10-8-16/h3-11,13H,12H2,1-2H3