2-phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

Systemtic Name: 2-phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Openeye Name: 2-phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione CAS Name: 2-phenyl-6-[(2-pyrimidinylthio)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione IUPAC Name: 2-phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Traditional Name: 2-phenyl-6-[(2-pyrimidylthio)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-quinone Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=NC=CC=N4

InChI

InChI=1S/C17H13N5O2S/c23-13-9-11(10-25-17-18-7-4-8-19-17)20-15-14(13)16(24)22(21-15)12-5-2-1-3-6-12/h1-9H,10H2,(H2,20,21,23)