2-[3-methyl-7-[(2R)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[3-methyl-7-[(2R)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-[7-[(2R)-2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetamide CAS Name: 2-[[7-[(2R)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: 2-[7-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[7-[(2R)-2-hydroxy-3-(1-naphthoxy)propyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC(COC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)C[C@H](COC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C21H21N5O5S/c1-25-18-17(19(29)24-20(25)30)26(21(23-18)32-11-16(22)28)9-13(27)10-31-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,27H,9-11H2,1H3,(H2,22,28)(H,24,29,30)/t13-/m1/s1