3-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]-1H-quinoxalin-2-one Openeye Name: 3-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]-1H-quinoxalin-2-one CAS Name: 3-[[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]-1H-quinoxalin-2-one IUPAC Name: 3-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]-1H-quinoxalin-2-one Traditional Name: 3-[[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]-1H-quinoxalin-2-one Formula: C20H14N6O2S MolecularWeight: 402.42916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C20H14N6O2S/c27-18-16(22-14-8-4-5-9-15(14)23-18)11-29-20-24-17-13(10-21-25-17)19(28)26(20)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,25)(H,23,27)