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

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-1-(7H-purin-6-yl)ethanone Openeye Name: 2-(4-methoxyphenyl)sulfanyl-1-(7H-purin-6-yl)ethanone CAS Name: 2-[(4-methoxyphenyl)thio]-1-(7H-purin-6-yl)ethanone IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-1-(7H-purin-6-yl)ethanone Traditional Name: 2-[(4-methoxyphenyl)thio]-1-(7H-purin-6-yl)ethanone Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)C2=C3C(=NC=N2)N=CN3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)C2=C3C(=NC=N2)N=CN3

InChI

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