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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

InChI

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