N-(4-acetamidophenyl)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(2-chloro-7H-purin-6-yl)thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(2-chloro-7H-purin-6-yl)thio]acetamide Formula: C15H13ClN6O2S MolecularWeight: 376.82072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H13ClN6O2S/c1-8(23)19-9-2-4-10(5-3-9)20-11(24)6-25-14-12-13(18-7-17-12)21-15(16)22-14/h2-5,7H,6H2,1H3,(H,19,23)(H,20,24)(H,17,18,21,22)