ethyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]butanoate

Systemtic Name: ethyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]butanoate CAS Name: 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]butanoate Traditional Name: 2-[(2,6-diketo-3-methyl-7H-purin-8-yl)thio]butyric acid ethyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(N1)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(N1)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H16N4O4S/c1-4-6(10(18)20-5-2)21-11-13-7-8(14-11)16(3)12(19)15-9(7)17/h6H,4-5H2,1-3H3,(H,13,14)(H,15,17,19)