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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O4S/c1-4-5-6-21-8(18)7-22-13-14-10-9(16(13)2)11(19)15-12(20)17(10)3/h4-7H2,1-3H3,(H,15,19,20)