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

Systemtic Name: 3-[3-methyl-7-[(2R)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: 3-[7-[(2R)-2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylpropanoate CAS Name: 3-[[7-[(2R)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-2,6-dioxo-8-purinyl]thio]propanoate IUPAC Name: 3-[7-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate Traditional Name: 3-[[7-[(2R)-2-hydroxy-3-(1-naphthoxy)propyl]-2,6-diketo-3-methyl-purin-8-yl]thio]propionate Formula: C22H21N4O6S- MolecularWeight: 469.49034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)[O-])CC(COC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O6S/c1-25-19-18(20(30)24-21(25)31)26(22(23-19)33-10-9-17(28)29)11-14(27)12-32-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,27H,9-12H2,1H3,(H,28,29)(H,24,30,31)/p-1/t14-/m1/s1