1-(4-phenoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(4-phenoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(4-phenoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(4-phenoxyphenyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(4-phenoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-phenoxyphenyl)-2-(7H-purin-6-ylthio)ethanone Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H14N4O2S/c24-16(10-26-19-17-18(21-11-20-17)22-12-23-19)13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,20,21,22,23)