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

Systemtic Name: ethyl 2-[3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-(7-isobutyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylbutanoate CAS Name: 2-[[3-methyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]sulfanylbutanoate Traditional Name: 2-[(7-isobutyl-2,6-diketo-3-methyl-purin-8-yl)thio]butyric acid ethyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H24N4O4S/c1-6-10(14(22)24-7-2)25-16-17-12-11(20(16)8-9(3)4)13(21)18-15(23)19(12)5/h9-10H,6-8H2,1-5H3,(H,18,21,23)