2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-mesityl-acetamide Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

InChI

InChI=1S/C16H18N6OS/c1-8-4-9(2)12(10(3)5-8)20-11(23)6-24-16-21-13-14(17)18-7-19-15(13)22-16/h4-5,7H,6H2,1-3H3,(H,20,23)(H3,17,18,19,21,22)