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

Systemtic Name: ethyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-methyl-7-(2-methylallyl)-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxo-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-3-methyl-7-(2-methylallyl)purin-8-yl]thio]acetic acid ethyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c1-5-22-9(19)7-23-14-15-11-10(18(14)6-8(2)3)12(20)16-13(21)17(11)4/h2,5-7H2,1,3-4H3,(H,16,20,21)