2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]acetamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H17N5O4S/c1-9(23)10-5-4-6-11(7-10)18-12(24)8-27-16-19-13-14(20-16)21(2)17(26)22(3)15(13)25/h4-7H,8H2,1-3H3,(H,18,24)(H,19,20)