2-[3-methyl-2,6-bis(oxidanylidene)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetic acid CAS Name: 2-[[7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid IUPAC Name: 2-[7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid Traditional Name: 2-[[7-[(2R)-2-hydroxy-3-phenoxy-propyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C17H18N4O6S/c1-20-14-13(15(25)19-16(20)26)21(17(18-14)28-9-12(23)24)7-10(22)8-27-11-5-3-2-4-6-11/h2-6,10,22H,7-9H2,1H3,(H,23,24)(H,19,25,26)/t10-/m1/s1