2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-methyl-2,6-dioxo-7-phenacyl-purin-8-yl)methylsulfanyl]acetic acid CAS Name: 2-[(3-methyl-2,6-dioxo-7-phenacyl-8-purinyl)methylthio]acetic acid IUPAC Name: 2-[(3-methyl-2,6-dioxo-7-phenacylpurin-8-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2,6-diketo-3-methyl-7-phenacyl-purin-8-yl)methylthio]acetic acid Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSCC(=O)O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSCC(=O)O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O5S/c1-20-15-14(16(25)19-17(20)26)21(12(18-15)8-27-9-13(23)24)7-11(22)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,23,24)(H,19,25,26)