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

Systemtic Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H16N6O2S/c28-18-11-26(17-9-5-4-8-16(17)25-18)19(29)12-30-21-15-10-24-27(20(15)22-13-23-21)14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,25,28)