1-[4-methoxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]phenyl]ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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