2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-phenacyl-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-phenacyl-8-purinyl)thio]acetic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-phenacylpurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-phenacyl-purin-8-yl)thio]acetic acid Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O5S/c1-19-14-13(15(25)20(2)17(19)26)21(16(18-14)27-9-12(23)24)8-11(22)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,23,24)