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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)OC

InChI

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