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

Systemtic Name: (phenylmethyl) 2-[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]sulfanylethanoate Openeye Name: benzyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate CAS Name: 2-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-3-methyl-7-(3-phenylpropyl)purin-8-yl]thio]acetic acid benzyl ester Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4S/c1-27-21-20(22(30)26-23(27)31)28(14-8-13-17-9-4-2-5-10-17)24(25-21)33-16-19(29)32-15-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,26,30,31)