N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C15H14ClN5O3S MolecularWeight: 379.82136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NC=NC3=C2NC=N3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NC=NC3=C2NC=N3)OC)Cl

InChI

InChI=1S/C15H14ClN5O3S/c1-23-10-4-9(11(24-2)3-8(10)16)21-12(22)5-25-15-13-14(18-6-17-13)19-7-20-15/h3-4,6-7H,5H2,1-2H3,(H,21,22)(H,17,18,19,20)