3,3-dimethyl-4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-1H-quinoxalin-2-one Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

InChI

InChI=1S/C23H20N6O2S/c1-23(2)22(31)27-17-10-6-7-11-18(17)28(23)19(30)13-32-21-16-12-26-29(20(16)24-14-25-21)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,27,31)