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

Systemtic Name: methyl 2-[3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-(7-isobutyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[[3-methyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[(7-isobutyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid methyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O4S/c1-7(2)5-17-9-10(16(3)12(20)15-11(9)19)14-13(17)22-6-8(18)21-4/h7H,5-6H2,1-4H3,(H,15,19,20)