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

Systemtic Name: 1-(4-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(4-methoxyphenyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-methoxyphenyl)-2-(7H-purin-6-ylthio)ethanone Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H12N4O2S/c1-20-10-4-2-9(3-5-10)11(19)6-21-14-12-13(16-7-15-12)17-8-18-14/h2-5,7-8H,6H2,1H3,(H,15,16,17,18)