ethyl 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-[1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxo-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(2-methylallyl)purin-8-yl]thio]acetic acid ethyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H20N4O4S/c1-6-23-10(20)8-24-14-16-12-11(19(14)7-9(2)3)13(21)18(5)15(22)17(12)4/h2,6-8H2,1,3-5H3