2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2-ethylphenyl)acetamide Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C15H16N6OS/c1-2-9-5-3-4-6-10(9)19-11(22)7-23-15-20-12-13(16)17-8-18-14(12)21-15/h3-6,8H,2,7H2,1H3,(H,19,22)(H3,16,17,18,20,21)