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

Systemtic Name: pentyl 2-[3-methyl-7-[(2R)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: pentyl 2-[7-[(2R)-2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-[(2R)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid pentyl ester IUPAC Name: pentyl 2-[7-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[7-[(2R)-2-hydroxy-3-(1-naphthoxy)propyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid amyl ester Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCOC(=O)CSC1=NC2=C(N1C[C@H](COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C26H30N4O6S/c1-3-4-7-13-35-21(32)16-37-26-27-23-22(24(33)28-25(34)29(23)2)30(26)14-18(31)15-36-20-12-8-10-17-9-5-6-11-19(17)20/h5-6,8-12,18,31H,3-4,7,13-16H2,1-2H3,(H,28,33,34)/t18-/m1/s1