N-(3-ethylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(3-ethylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(3-ethylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(3-ethylphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(3-ethylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(3-ethylphenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H15N5OS/c1-2-10-4-3-5-11(6-10)20-12(21)7-22-15-13-14(17-8-16-13)18-9-19-15/h3-6,8-9H,2,7H2,1H3,(H,20,21)(H,16,17,18,19)