2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(5-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(5-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(5-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(5-chloro-2-methyl-phenyl)acetamide Formula: C14H13ClN6OS MolecularWeight: 348.81062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6OS/c1-7-2-3-8(15)4-9(7)19-10(22)5-23-14-20-11-12(16)17-6-18-13(11)21-14/h2-4,6H,5H2,1H3,(H,19,22)(H3,16,17,18,20,21)