N-(3-acetamidophenyl)-2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)thio]acetamide Formula: C15H15N7O2S MolecularWeight: 357.3903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C15H15N7O2S/c1-8(23)19-9-3-2-4-10(5-9)20-11(24)6-25-15-21-12-13(16)17-7-18-14(12)22-15/h2-5,7H,6H2,1H3,(H,19,23)(H,20,24)(H3,16,17,18,21,22)