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

Systemtic Name: 1-[4-ethoxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]phenyl]ethanone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-3-28-20-10-9-16(15(2)27)11-17(20)13-29-22-19-12-25-26(21(19)23-14-24-22)18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3