2-(7H-purin-6-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(7H-purin-6-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-(7H-purin-6-ylthio)-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(7H-purin-6-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-(7H-purin-6-ylthio)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H17N5O4S/c1-23-10-4-9(5-11(24-2)14(10)25-3)21-12(22)6-26-16-13-15(18-7-17-13)19-8-20-16/h4-5,7-8H,6H2,1-3H3,(H,21,22)(H,17,18,19,20)