2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C14H12ClN5O2S MolecularWeight: 349.79538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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