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

Systemtic Name: methyl 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H18N4O4S/c1-8(2)6-18-10-11(15-13(18)23-7-9(19)22-5)16(3)14(21)17(4)12(10)20/h1,6-7H2,2-5H3