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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2,6-diethylphenyl)acetamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C17H20N6OS/c1-3-10-6-5-7-11(4-2)13(10)21-12(24)8-25-17-22-14-15(18)19-9-20-16(14)23-17/h5-7,9H,3-4,8H2,1-2H3,(H,21,24)(H3,18,19,20,22,23)