N-(5-chloranyl-2-methoxy-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H12ClN5O2S MolecularWeight: 349.79538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5O2S/c1-22-10-3-2-8(15)4-9(10)20-11(21)5-23-14-12-13(17-6-16-12)18-7-19-14/h2-4,6-7H,5H2,1H3,(H,20,21)(H,16,17,18,19)