(phenylmethyl) 2-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoate Openeye Name: benzyl 2-(3-methyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-pentyl-8-purinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-amyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid benzyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H24N4O4S/c1-3-4-8-11-24-16-17(23(2)19(27)22-18(16)26)21-20(24)29-13-15(25)28-12-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,22,26,27)