N-methyl-2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenyl-ethanamide

Systemtic Name: N-methyl-2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenyl-ethanamide Openeye Name: N-methyl-2-(3-oxo-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenyl-acetamide CAS Name: N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide IUPAC Name: N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide Traditional Name: 2-(3-keto-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N-methyl-N,2-diphenyl-acetamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4

InChI

InChI=1S/C20H17N5O2S/c1-24(14-10-6-3-7-11-14)19(27)16(13-8-4-2-5-9-13)25-12-21-17-15(20(25)28)18(26)23-22-17/h2-12,16H,1H3,(H2,22,23,26)