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

Systemtic Name: 1,2-bis(4-methylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1,2-bis(p-tolyl)ethanone CAS Name: 1,2-bis(4-methylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1,2-bis(4-methylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1,2-bis(p-tolyl)ethanone Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C22H20N4OS/c1-14-4-8-16(9-5-14)19(27)20(17-10-6-15(2)7-11-17)28-22-18-12-25-26(3)21(18)23-13-24-22/h4-13,20H,1-3H3