N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3S/c1-22-9-3-4-11(23-2)10(5-9)20-12(21)6-24-15-13-14(17-7-16-13)18-8-19-15/h3-5,7-8H,6H2,1-2H3,(H,20,21)(H,16,17,18,19)