1-(4-methoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-methoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-methoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(4-methoxyphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(4-methoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(4-methoxyphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H16N4O2S/c1-10(14(21)11-4-6-12(22-3)7-5-11)23-16-13-8-19-20(2)15(13)17-9-18-16/h4-10H,1-3H3