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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C15H17N7OS MolecularWeight: 343.40678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N7OS/c1-22(2)10-5-3-9(4-6-10)19-11(23)7-24-15-20-12-13(16)17-8-18-14(12)21-15/h3-6,8H,7H2,1-2H3,(H,19,23)(H3,16,17,18,20,21)