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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purin-8-yl]sulfanylethanamide Openeye Name: 2-[7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetamide CAS Name: 2-[[7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: 2-[7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[7-[(2R)-2-hydroxy-3-phenoxy-propyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetamide Formula: C17H19N5O5S MolecularWeight: 405.42826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5S/c1-21-14-13(15(25)20-16(21)26)22(17(19-14)28-9-12(18)24)7-10(23)8-27-11-5-3-2-4-6-11/h2-6,10,23H,7-9H2,1H3,(H2,18,24)(H,20,25,26)/t10-/m1/s1