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2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoate

2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoate

Systemtic Name:2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoate
Openeye Name:2-(1,3-dimethyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylacetate
CAS Name:2-[(1,3-dimethyl-2,6-dioxo-7-pentyl-8-purinyl)thio]acetate
IUPAC Name:2-(1,3-dimethyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetate
Traditional Name:2-[(7-amyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetate
Formula: C14H19N4O4S-
MolecularWeight: 339.39006
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C


Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C


InChI

InChI=1S/C14H20N4O4S/c1-4-5-6-7-18-10-11(15-13(18)23-8-9(19)20)16(2)14(22)17(3)12(10)21/h4-8H2,1-3H3,(H,19,20)/p-1


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